N-[5-[7-[4-[2-[7-[4-[2-[5-(5-amino-3-pyridinyl)-1H-indazol-3-yl]-3H-imidazo[4,5-c]pyridin-7-yl]thiophen-3-yl]-5-[5-(propanoylamino)-3-pyridinyl]-1H-indazol-3-yl]-3H-imidazo[4,5-c]pyridin-7-yl]thiophen-2-yl]-3-(3H-imidazo[4,5-c]pyridin-2-yl)-1H-indazol-5-yl]-3-pyridinyl]cyclopropanecarboxamide

C69H47N21O2S2 — CID 154939183

IUPACN-[5-[7-[4-[2-[7-[4-[2-[5-(5-amino-3-pyridinyl)-1H-indazol-3-yl]-3H-imidazo[4,5-c]pyridin-7-yl]thiophen-3-yl]-5-[5-(propanoylamino)-3-pyridinyl]-1H-indazol-3-yl]-3H-imidazo[4,5-c]pyridin-7-yl]thiophen-2-yl]-3-(3H-imidazo[4,5-c]pyridin-2-yl)-1H-indazol-5-yl]-3-pyridinyl]cyclopropanecarboxamide
SMILESCCC(=O)Nc1cncc(-c2cc(-c3cscc3-c3cncc4[nH]c(-c5n[nH]c6ccc(-c7cncc(N)c7)cc56)nc34)c3[nH]nc(-c4nc5c(-c6csc(-c7cc(-c8cncc(NC(=O)C9CC9)c8)cc8c(-c9nc%10ccncc%10[nH]9)n[nH]c78)c6)cncc5[nH]4)c3c2)c1
InChIInChI=1S/C69H47N21O2S2/c1-2-58(91)77-41-10-37(19-73-22-41)34-13-43(50-30-93-31-51(50)49-25-76-28-56-62(49)84-67(82-56)63-44-12-33(5-6-52(44)85-88-63)36-9-40(70)21-72-18-36)59-46(15-34)65(90-86-59)68-81-55-27-75-24-48(61(55)83-68)39-17-57(94-29-39)45-14-35(38-11-42(23-74-20-38)78-69(92)32-3-4-32)16-47-60(45)87-89-64(47)66-79-53-7-8-71-26-54(53)80-66/h5-32H,2-4,70H2,1H3,(H,77,91)(H,78,92)(H,79,80)(H,81,83)(H,82,84)(H,85,88)(H,86,90)(H,87,89)
InChIKeyRBDJSSZTYKDUCP-UHFFFAOYSA-N
MW1266.41 g/mol
LogP14.39
Rot. Bonds14

About N-[5-[7-[4-[2-[7-[4-[2-[5-(5-amino-3-pyridinyl)-1H-indazol-3-yl]-3H-imidazo[4,5-c]pyridin-7-yl]thiophen-3-yl]-5-[5-(propanoylamino)-3-pyridinyl]-1H-indazol-3-yl]-3H-imidazo[4,5-c]pyridin-7-yl]thiophen-2-yl]-3-(3H-imidazo[4,5-c]pyridin-2-yl)-1H-indazol-5-yl]-3-pyridinyl]cyclopropanecarboxamide

N-[5-[7-[4-[2-[7-[4-[2-[5-(5-amino-3-pyridinyl)-1H-indazol-3-yl]-3H-imidazo[4,5-c]pyridin-7-yl]thiophen-3-yl]-5-[5-(propanoylamino)-3-pyridinyl]-1H-indazol-3-yl]-3H-imidazo[4,5-c]pyridin-7-yl]thiophen-2-yl]-3-(3H-imidazo[4,5-c]pyridin-2-yl)-1H-indazol-5-yl]-3-pyridinyl]cyclopropanecarboxamide (PubChem CID 154939183) has the molecular formula C69H47N21O2S2 and a molecular weight of 1266.41 g/mol. Its IUPAC name is N-[5-[7-[4-[2-[7-[4-[2-[5-(5-amino-3-pyridinyl)-1H-indazol-3-yl]-3H-imidazo[4,5-c]pyridin-7-yl]thiophen-3-yl]-5-[5-(propanoylamino)-3-pyridinyl]-1H-indazol-3-yl]-3H-imidazo[4,5-c]pyridin-7-yl]thiophen-2-yl]-3-(3H-imidazo[4,5-c]pyridin-2-yl)-1H-indazol-5-yl]-3-pyridinyl]cyclopropanecarboxamide.

Molecular Properties

Compound NameN-[5-[7-[4-[2-[7-[4-[2-[5-(5-amino-3-pyridinyl)-1H-indazol-3-yl]-3H-imidazo[4,5-c]pyridin-7-yl]thiophen-3-yl]-5-[5-(propanoylamino)-3-pyridinyl]-1H-indazol-3-yl]-3H-imidazo[4,5-c]pyridin-7-yl]thiophen-2-yl]-3-(3H-imidazo[4,5-c]pyridin-2-yl)-1H-indazol-5-yl]-3-pyridinyl]cyclopropanecarboxamide
PubChem CID154939183
Molecular FormulaC69H47N21O2S2
Molecular Weight1266.41 g/mol
Exact Mass1265.37
IUPAC NameN-[5-[7-[4-[2-[7-[4-[2-[5-(5-amino-3-pyridinyl)-1H-indazol-3-yl]-3H-imidazo[4,5-c]pyridin-7-yl]thiophen-3-yl]-5-[5-(propanoylamino)-3-pyridinyl]-1H-indazol-3-yl]-3H-imidazo[4,5-c]pyridin-7-yl]thiophen-2-yl]-3-(3H-imidazo[4,5-c]pyridin-2-yl)-1H-indazol-5-yl]-3-pyridinyl]cyclopropanecarboxamide
SMILESCCC(=O)Nc1cncc(-c2cc(-c3cscc3-c3cncc4[nH]c(-c5n[nH]c6ccc(-c7cncc(N)c7)cc56)nc34)c3[nH]nc(-c4nc5c(-c6csc(-c7cc(-c8cncc(NC(=O)C9CC9)c8)cc8c(-c9nc%10ccncc%10[nH]9)n[nH]c78)c6)cncc5[nH]4)c3c2)c1
InChIInChI=1S/C69H47N21O2S2/c1-2-58(91)77-41-10-37(19-73-22-41)34-13-43(50-30-93-31-51(50)49-25-76-28-56-62(49)84-67(82-56)63-44-12-33(5-6-52(44)85-88-63)36-9-40(70)21-72-18-36)59-46(15-34)65(90-86-59)68-81-55-27-75-24-48(61(55)83-68)39-17-57(94-29-39)45-14-35(38-11-42(23-74-20-38)78-69(92)32-3-4-32)16-47-60(45)87-89-64(47)66-79-53-7-8-71-26-54(53)80-66/h5-32H,2-4,70H2,1H3,(H,77,91)(H,78,92)(H,79,80)(H,81,83)(H,82,84)(H,85,88)(H,86,90)(H,87,89)
InChIKeyRBDJSSZTYKDUCP-UHFFFAOYSA-N
XLogP14.39
TPSA333.64 Ų
H-Bond Donors9
H-Bond Acceptors17
Rotatable Bonds14
Heavy Atoms94
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001266.41
LogP ≤ 514.39
H-Bond Donors ≤ 59
H-Bond Acceptors ≤ 1017

Analyze N-[5-[7-[4-[2-[7-[4-[2-[5-(5-amino-3-pyridinyl)-1H-indazol-3-yl]-3H-imidazo[4,5-c]pyridin-7-yl]thiophen-3-yl]-5-[5-(propanoylamino)-3-pyridinyl]-1H-indazol-3-yl]-3H-imidazo[4,5-c]pyridin-7-yl]thiophen-2-yl]-3-(3H-imidazo[4,5-c]pyridin-2-yl)-1H-indazol-5-yl]-3-pyridinyl]cyclopropanecarboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-[5-[7-[4-[2-[7-[4-[2-[5-(5-amino-3-pyridinyl)-1H-indazol-3-yl]-3H-imidazo[4,5-c]pyridin-7-yl]thiophen-3-yl]-5-[5-(propanoylamino)-3-pyridinyl]-1H-indazol-3-yl]-3H-imidazo[4,5-c]pyridin-7-yl]thiophen-2-yl]-3-(3H-imidazo[4,5-c]pyridin-2-yl)-1H-indazol-5-yl]-3-pyridinyl]cyclopropanecarboxamide?
The IUPAC name of N-[5-[7-[4-[2-[7-[4-[2-[5-(5-amino-3-pyridinyl)-1H-indazol-3-yl]-3H-imidazo[4,5-c]pyridin-7-yl]thiophen-3-yl]-5-[5-(propanoylamino)-3-pyridinyl]-1H-indazol-3-yl]-3H-imidazo[4,5-c]pyridin-7-yl]thiophen-2-yl]-3-(3H-imidazo[4,5-c]pyridin-2-yl)-1H-indazol-5-yl]-3-pyridinyl]cyclopropanecarboxamide (CID 154939183) is N-[5-[7-[4-[2-[7-[4-[2-[5-(5-amino-3-pyridinyl)-1H-indazol-3-yl]-3H-imidazo[4,5-c]pyridin-7-yl]thiophen-3-yl]-5-[5-(propanoylamino)-3-pyridinyl]-1H-indazol-3-yl]-3H-imidazo[4,5-c]pyridin-7-yl]thiophen-2-yl]-3-(3H-imidazo[4,5-c]pyridin-2-yl)-1H-indazol-5-yl]-3-pyridinyl]cyclopropanecarboxamide.
What is the SMILES notation for N-[5-[7-[4-[2-[7-[4-[2-[5-(5-amino-3-pyridinyl)-1H-indazol-3-yl]-3H-imidazo[4,5-c]pyridin-7-yl]thiophen-3-yl]-5-[5-(propanoylamino)-3-pyridinyl]-1H-indazol-3-yl]-3H-imidazo[4,5-c]pyridin-7-yl]thiophen-2-yl]-3-(3H-imidazo[4,5-c]pyridin-2-yl)-1H-indazol-5-yl]-3-pyridinyl]cyclopropanecarboxamide?
The canonical SMILES for N-[5-[7-[4-[2-[7-[4-[2-[5-(5-amino-3-pyridinyl)-1H-indazol-3-yl]-3H-imidazo[4,5-c]pyridin-7-yl]thiophen-3-yl]-5-[5-(propanoylamino)-3-pyridinyl]-1H-indazol-3-yl]-3H-imidazo[4,5-c]pyridin-7-yl]thiophen-2-yl]-3-(3H-imidazo[4,5-c]pyridin-2-yl)-1H-indazol-5-yl]-3-pyridinyl]cyclopropanecarboxamide is CCC(=O)Nc1cncc(-c2cc(-c3cscc3-c3cncc4[nH]c(-c5n[nH]c6ccc(-c7cncc(N)c7)cc56)nc34)c3[nH]nc(-c4nc5c(-c6csc(-c7cc(-c8cncc(NC(=O)C9CC9)c8)cc8c(-c9nc%10ccncc%10[nH]9)n[nH]c78)c6)cncc5[nH]4)c3c2)c1.
What is the InChIKey of N-[5-[7-[4-[2-[7-[4-[2-[5-(5-amino-3-pyridinyl)-1H-indazol-3-yl]-3H-imidazo[4,5-c]pyridin-7-yl]thiophen-3-yl]-5-[5-(propanoylamino)-3-pyridinyl]-1H-indazol-3-yl]-3H-imidazo[4,5-c]pyridin-7-yl]thiophen-2-yl]-3-(3H-imidazo[4,5-c]pyridin-2-yl)-1H-indazol-5-yl]-3-pyridinyl]cyclopropanecarboxamide?
The InChIKey is RBDJSSZTYKDUCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C69H47N21O2S2/c1-2-58(91)77-41-10-37(19-73-22-41)34-13-43(50-30-93-31-51(50)49-25-76-28-56-62(49)84-67(82-56)63-44-12-33(5-6-52(44)85-88-63)36-9-40(70)21-72-18-36)59-46(15-34)65(90-86-59)68-81-55-27-75-24-48(61(55)83-68)39-17-57(94-29-39)45-14-35(38-11-42(23-74-20-38)78-69(92)32-3-4-32)16-47-60(45)87-89-64(47)66-79-53-7-8-71-26-54(53)80-66/h5-32H,2-4,70H2,1H3,(H,77,91)(H,78,92)(H,79,80)(H,81,83)(H,82,84)(H,85,88)(H,86,90)(H,87,89).
What are the key properties of N-[5-[7-[4-[2-[7-[4-[2-[5-(5-amino-3-pyridinyl)-1H-indazol-3-yl]-3H-imidazo[4,5-c]pyridin-7-yl]thiophen-3-yl]-5-[5-(propanoylamino)-3-pyridinyl]-1H-indazol-3-yl]-3H-imidazo[4,5-c]pyridin-7-yl]thiophen-2-yl]-3-(3H-imidazo[4,5-c]pyridin-2-yl)-1H-indazol-5-yl]-3-pyridinyl]cyclopropanecarboxamide?
N-[5-[7-[4-[2-[7-[4-[2-[5-(5-amino-3-pyridinyl)-1H-indazol-3-yl]-3H-imidazo[4,5-c]pyridin-7-yl]thiophen-3-yl]-5-[5-(propanoylamino)-3-pyridinyl]-1H-indazol-3-yl]-3H-imidazo[4,5-c]pyridin-7-yl]thiophen-2-yl]-3-(3H-imidazo[4,5-c]pyridin-2-yl)-1H-indazol-5-yl]-3-pyridinyl]cyclopropanecarboxamide has a molecular weight of 1266.41 g/mol, XLogP of 14.39, 14 rotatable bonds, 9 hydrogen bond donors, and 17 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[7-[4-[2-[7-[4-[2-[5-(5-amino-3-pyridinyl)-1H-indazol-3-yl]-3H-imidazo[4,5-c]pyridin-7-yl]thiophen-3-yl]-5-[5-(propanoylamino)-3-pyridinyl]-1H-indazol-3-yl]-3H-imidazo[4,5-c]pyridin-7-yl]thiophen-2-yl]-3-(3H-imidazo[4,5-c]pyridin-2-yl)-1H-indazol-5-yl]-3-pyridinyl]cyclopropanecarboxamide is sourced from PubChem (CID 154939183), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).