N-[5-[[3-[3-[[6-[(4-methylpiperazin-1-yl)methyl]-3-pyridinyl]carbamoyl]-5-[5-(pyrrolidin-1-ylmethyl)-3-pyridinyl]indazol-1-yl]pyrrolidin-1-yl]methyl]-3-pyridinyl]-5-[5-(piperidin-1-ylmethyl)-3-pyridinyl]-1-[1-[[5-[[5-[5-(piperidin-1-ylmethyl)-3-pyridinyl]-1H-indazole-3-carbonyl]amino]-3-pyridinyl]methyl]piperidin-3-yl]indazole-3-carboxamide

C88H98N22O3 — CID 155017788

IUPACN-[5-[[3-[3-[[6-[(4-methylpiperazin-1-yl)methyl]-3-pyridinyl]carbamoyl]-5-[5-(pyrrolidin-1-ylmethyl)-3-pyridinyl]indazol-1-yl]pyrrolidin-1-yl]methyl]-3-pyridinyl]-5-[5-(piperidin-1-ylmethyl)-3-pyridinyl]-1-[1-[[5-[[5-[5-(piperidin-1-ylmethyl)-3-pyridinyl]-1H-indazole-3-carbonyl]amino]-3-pyridinyl]methyl]piperidin-3-yl]indazole-3-carboxamide
SMILESCN1CCN(Cc2ccc(NC(=O)c3nn(C4CCN(Cc5cncc(NC(=O)c6nn(C7CCCN(Cc8cncc(NC(=O)c9n[nH]c%10ccc(-c%11cncc(CN%12CCCCC%12)c%11)cc9%10)c8)C7)c7ccc(-c8cncc(CN9CCCCC9)c8)cc67)c5)C4)c4ccc(-c5cncc(CN6CCCC6)c5)cc34)cn2)CC1
InChIInChI=1S/C88H98N22O3/c1-102-29-31-106(32-30-102)57-72-16-15-71(51-94-72)95-87(112)84-79-40-67(70-35-62(43-91-48-70)54-105-25-8-9-26-105)14-19-82(79)110(101-84)76-20-28-108(59-76)56-64-37-74(50-93-45-64)97-88(113)85-78-39-66(69-34-61(42-90-47-69)53-104-23-6-3-7-24-104)13-18-81(78)109(100-85)75-11-10-27-107(58-75)55-63-36-73(49-92-44-63)96-86(111)83-77-38-65(12-17-80(77)98-99-83)68-33-60(41-89-46-68)52-103-21-4-2-5-22-103/h12-19,33-51,75-76H,2-11,20-32,52-59H2,1H3,(H,95,112)(H,96,111)(H,97,113)(H,98,99)
InChIKeyAACTXYPQQANWLZ-UHFFFAOYSA-N
MW1511.90 g/mol
LogP12.99
Rot. Bonds23

About N-[5-[[3-[3-[[6-[(4-methylpiperazin-1-yl)methyl]-3-pyridinyl]carbamoyl]-5-[5-(pyrrolidin-1-ylmethyl)-3-pyridinyl]indazol-1-yl]pyrrolidin-1-yl]methyl]-3-pyridinyl]-5-[5-(piperidin-1-ylmethyl)-3-pyridinyl]-1-[1-[[5-[[5-[5-(piperidin-1-ylmethyl)-3-pyridinyl]-1H-indazole-3-carbonyl]amino]-3-pyridinyl]methyl]piperidin-3-yl]indazole-3-carboxamide

N-[5-[[3-[3-[[6-[(4-methylpiperazin-1-yl)methyl]-3-pyridinyl]carbamoyl]-5-[5-(pyrrolidin-1-ylmethyl)-3-pyridinyl]indazol-1-yl]pyrrolidin-1-yl]methyl]-3-pyridinyl]-5-[5-(piperidin-1-ylmethyl)-3-pyridinyl]-1-[1-[[5-[[5-[5-(piperidin-1-ylmethyl)-3-pyridinyl]-1H-indazole-3-carbonyl]amino]-3-pyridinyl]methyl]piperidin-3-yl]indazole-3-carboxamide (PubChem CID 155017788) has the molecular formula C88H98N22O3 and a molecular weight of 1511.90 g/mol. Its IUPAC name is N-[5-[[3-[3-[[6-[(4-methylpiperazin-1-yl)methyl]-3-pyridinyl]carbamoyl]-5-[5-(pyrrolidin-1-ylmethyl)-3-pyridinyl]indazol-1-yl]pyrrolidin-1-yl]methyl]-3-pyridinyl]-5-[5-(piperidin-1-ylmethyl)-3-pyridinyl]-1-[1-[[5-[[5-[5-(piperidin-1-ylmethyl)-3-pyridinyl]-1H-indazole-3-carbonyl]amino]-3-pyridinyl]methyl]piperidin-3-yl]indazole-3-carboxamide.

Molecular Properties

Compound NameN-[5-[[3-[3-[[6-[(4-methylpiperazin-1-yl)methyl]-3-pyridinyl]carbamoyl]-5-[5-(pyrrolidin-1-ylmethyl)-3-pyridinyl]indazol-1-yl]pyrrolidin-1-yl]methyl]-3-pyridinyl]-5-[5-(piperidin-1-ylmethyl)-3-pyridinyl]-1-[1-[[5-[[5-[5-(piperidin-1-ylmethyl)-3-pyridinyl]-1H-indazole-3-carbonyl]amino]-3-pyridinyl]methyl]piperidin-3-yl]indazole-3-carboxamide
PubChem CID155017788
Molecular FormulaC88H98N22O3
Molecular Weight1511.90 g/mol
Exact Mass1510.82
IUPAC NameN-[5-[[3-[3-[[6-[(4-methylpiperazin-1-yl)methyl]-3-pyridinyl]carbamoyl]-5-[5-(pyrrolidin-1-ylmethyl)-3-pyridinyl]indazol-1-yl]pyrrolidin-1-yl]methyl]-3-pyridinyl]-5-[5-(piperidin-1-ylmethyl)-3-pyridinyl]-1-[1-[[5-[[5-[5-(piperidin-1-ylmethyl)-3-pyridinyl]-1H-indazole-3-carbonyl]amino]-3-pyridinyl]methyl]piperidin-3-yl]indazole-3-carboxamide
SMILESCN1CCN(Cc2ccc(NC(=O)c3nn(C4CCN(Cc5cncc(NC(=O)c6nn(C7CCCN(Cc8cncc(NC(=O)c9n[nH]c%10ccc(-c%11cncc(CN%12CCCCC%12)c%11)cc9%10)c8)C7)c7ccc(-c8cncc(CN9CCCCC9)c8)cc67)c5)C4)c4ccc(-c5cncc(CN6CCCC6)c5)cc34)cn2)CC1
InChIInChI=1S/C88H98N22O3/c1-102-29-31-106(32-30-102)57-72-16-15-71(51-94-72)95-87(112)84-79-40-67(70-35-62(43-91-48-70)54-105-25-8-9-26-105)14-19-82(79)110(101-84)76-20-28-108(59-76)56-64-37-74(50-93-45-64)97-88(113)85-78-39-66(69-34-61(42-90-47-69)53-104-23-6-3-7-24-104)13-18-81(78)109(100-85)75-11-10-27-107(58-75)55-63-36-73(49-92-44-63)96-86(111)83-77-38-65(12-17-80(77)98-99-83)68-33-60(41-89-46-68)52-103-21-4-2-5-22-103/h12-19,33-51,75-76H,2-11,20-32,52-59H2,1H3,(H,95,112)(H,96,111)(H,97,113)(H,98,99)
InChIKeyAACTXYPQQANWLZ-UHFFFAOYSA-N
XLogP12.99
TPSA251.64 Ų
H-Bond Donors4
H-Bond Acceptors21
Rotatable Bonds23
Heavy Atoms113
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001511.90
LogP ≤ 512.99
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1021

Analyze N-[5-[[3-[3-[[6-[(4-methylpiperazin-1-yl)methyl]-3-pyridinyl]carbamoyl]-5-[5-(pyrrolidin-1-ylmethyl)-3-pyridinyl]indazol-1-yl]pyrrolidin-1-yl]methyl]-3-pyridinyl]-5-[5-(piperidin-1-ylmethyl)-3-pyridinyl]-1-[1-[[5-[[5-[5-(piperidin-1-ylmethyl)-3-pyridinyl]-1H-indazole-3-carbonyl]amino]-3-pyridinyl]methyl]piperidin-3-yl]indazole-3-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[5-[[3-[3-[[6-[(4-methylpiperazin-1-yl)methyl]-3-pyridinyl]carbamoyl]-5-[5-(pyrrolidin-1-ylmethyl)-3-pyridinyl]indazol-1-yl]pyrrolidin-1-yl]methyl]-3-pyridinyl]-5-[5-(piperidin-1-ylmethyl)-3-pyridinyl]-1-[1-[[5-[[5-[5-(piperidin-1-ylmethyl)-3-pyridinyl]-1H-indazole-3-carbonyl]amino]-3-pyridinyl]methyl]piperidin-3-yl]indazole-3-carboxamide?
The IUPAC name of N-[5-[[3-[3-[[6-[(4-methylpiperazin-1-yl)methyl]-3-pyridinyl]carbamoyl]-5-[5-(pyrrolidin-1-ylmethyl)-3-pyridinyl]indazol-1-yl]pyrrolidin-1-yl]methyl]-3-pyridinyl]-5-[5-(piperidin-1-ylmethyl)-3-pyridinyl]-1-[1-[[5-[[5-[5-(piperidin-1-ylmethyl)-3-pyridinyl]-1H-indazole-3-carbonyl]amino]-3-pyridinyl]methyl]piperidin-3-yl]indazole-3-carboxamide (CID 155017788) is N-[5-[[3-[3-[[6-[(4-methylpiperazin-1-yl)methyl]-3-pyridinyl]carbamoyl]-5-[5-(pyrrolidin-1-ylmethyl)-3-pyridinyl]indazol-1-yl]pyrrolidin-1-yl]methyl]-3-pyridinyl]-5-[5-(piperidin-1-ylmethyl)-3-pyridinyl]-1-[1-[[5-[[5-[5-(piperidin-1-ylmethyl)-3-pyridinyl]-1H-indazole-3-carbonyl]amino]-3-pyridinyl]methyl]piperidin-3-yl]indazole-3-carboxamide.
What is the SMILES notation for N-[5-[[3-[3-[[6-[(4-methylpiperazin-1-yl)methyl]-3-pyridinyl]carbamoyl]-5-[5-(pyrrolidin-1-ylmethyl)-3-pyridinyl]indazol-1-yl]pyrrolidin-1-yl]methyl]-3-pyridinyl]-5-[5-(piperidin-1-ylmethyl)-3-pyridinyl]-1-[1-[[5-[[5-[5-(piperidin-1-ylmethyl)-3-pyridinyl]-1H-indazole-3-carbonyl]amino]-3-pyridinyl]methyl]piperidin-3-yl]indazole-3-carboxamide?
The canonical SMILES for N-[5-[[3-[3-[[6-[(4-methylpiperazin-1-yl)methyl]-3-pyridinyl]carbamoyl]-5-[5-(pyrrolidin-1-ylmethyl)-3-pyridinyl]indazol-1-yl]pyrrolidin-1-yl]methyl]-3-pyridinyl]-5-[5-(piperidin-1-ylmethyl)-3-pyridinyl]-1-[1-[[5-[[5-[5-(piperidin-1-ylmethyl)-3-pyridinyl]-1H-indazole-3-carbonyl]amino]-3-pyridinyl]methyl]piperidin-3-yl]indazole-3-carboxamide is CN1CCN(Cc2ccc(NC(=O)c3nn(C4CCN(Cc5cncc(NC(=O)c6nn(C7CCCN(Cc8cncc(NC(=O)c9n[nH]c%10ccc(-c%11cncc(CN%12CCCCC%12)c%11)cc9%10)c8)C7)c7ccc(-c8cncc(CN9CCCCC9)c8)cc67)c5)C4)c4ccc(-c5cncc(CN6CCCC6)c5)cc34)cn2)CC1.
What is the InChIKey of N-[5-[[3-[3-[[6-[(4-methylpiperazin-1-yl)methyl]-3-pyridinyl]carbamoyl]-5-[5-(pyrrolidin-1-ylmethyl)-3-pyridinyl]indazol-1-yl]pyrrolidin-1-yl]methyl]-3-pyridinyl]-5-[5-(piperidin-1-ylmethyl)-3-pyridinyl]-1-[1-[[5-[[5-[5-(piperidin-1-ylmethyl)-3-pyridinyl]-1H-indazole-3-carbonyl]amino]-3-pyridinyl]methyl]piperidin-3-yl]indazole-3-carboxamide?
The InChIKey is AACTXYPQQANWLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C88H98N22O3/c1-102-29-31-106(32-30-102)57-72-16-15-71(51-94-72)95-87(112)84-79-40-67(70-35-62(43-91-48-70)54-105-25-8-9-26-105)14-19-82(79)110(101-84)76-20-28-108(59-76)56-64-37-74(50-93-45-64)97-88(113)85-78-39-66(69-34-61(42-90-47-69)53-104-23-6-3-7-24-104)13-18-81(78)109(100-85)75-11-10-27-107(58-75)55-63-36-73(49-92-44-63)96-86(111)83-77-38-65(12-17-80(77)98-99-83)68-33-60(41-89-46-68)52-103-21-4-2-5-22-103/h12-19,33-51,75-76H,2-11,20-32,52-59H2,1H3,(H,95,112)(H,96,111)(H,97,113)(H,98,99).
What are the key properties of N-[5-[[3-[3-[[6-[(4-methylpiperazin-1-yl)methyl]-3-pyridinyl]carbamoyl]-5-[5-(pyrrolidin-1-ylmethyl)-3-pyridinyl]indazol-1-yl]pyrrolidin-1-yl]methyl]-3-pyridinyl]-5-[5-(piperidin-1-ylmethyl)-3-pyridinyl]-1-[1-[[5-[[5-[5-(piperidin-1-ylmethyl)-3-pyridinyl]-1H-indazole-3-carbonyl]amino]-3-pyridinyl]methyl]piperidin-3-yl]indazole-3-carboxamide?
N-[5-[[3-[3-[[6-[(4-methylpiperazin-1-yl)methyl]-3-pyridinyl]carbamoyl]-5-[5-(pyrrolidin-1-ylmethyl)-3-pyridinyl]indazol-1-yl]pyrrolidin-1-yl]methyl]-3-pyridinyl]-5-[5-(piperidin-1-ylmethyl)-3-pyridinyl]-1-[1-[[5-[[5-[5-(piperidin-1-ylmethyl)-3-pyridinyl]-1H-indazole-3-carbonyl]amino]-3-pyridinyl]methyl]piperidin-3-yl]indazole-3-carboxamide has a molecular weight of 1511.90 g/mol, XLogP of 12.99, 23 rotatable bonds, 4 hydrogen bond donors, and 21 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[[3-[3-[[6-[(4-methylpiperazin-1-yl)methyl]-3-pyridinyl]carbamoyl]-5-[5-(pyrrolidin-1-ylmethyl)-3-pyridinyl]indazol-1-yl]pyrrolidin-1-yl]methyl]-3-pyridinyl]-5-[5-(piperidin-1-ylmethyl)-3-pyridinyl]-1-[1-[[5-[[5-[5-(piperidin-1-ylmethyl)-3-pyridinyl]-1H-indazole-3-carbonyl]amino]-3-pyridinyl]methyl]piperidin-3-yl]indazole-3-carboxamide is sourced from PubChem (CID 155017788), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).