N-[6-(1-methyltriazol-4-yl)isoquinolin-3-yl]-2-[[2-[7-[4-[[6-(1-methyltriazol-4-yl)isoquinolin-3-yl]carbamoyl]-2-pyridinyl]-2,7-diazaspiro[3.5]nonan-3-yl]piperidin-4-yl]amino]pyridine-4-carboxamide

C48H48N16O2 — CID 134575956

IUPACN-[6-(1-methyltriazol-4-yl)isoquinolin-3-yl]-2-[[2-[7-[4-[[6-(1-methyltriazol-4-yl)isoquinolin-3-yl]carbamoyl]-2-pyridinyl]-2,7-diazaspiro[3.5]nonan-3-yl]piperidin-4-yl]amino]pyridine-4-carboxamide
SMILESCn1cc(-c2ccc3cnc(NC(=O)c4ccnc(NC5CCNC(C6NCC67CCN(c6cc(C(=O)Nc8cc9cc(-c%10cn(C)nn%10)ccc9cn8)ccn6)CC7)C5)c4)cc3c2)nn1
InChIInChI=1S/C48H48N16O2/c1-62-26-39(58-60-62)29-3-5-33-24-52-42(20-35(33)17-29)56-46(65)31-7-12-50-41(19-31)55-37-9-14-49-38(23-37)45-48(28-54-45)10-15-64(16-11-48)44-22-32(8-13-51-44)47(66)57-43-21-36-18-30(4-6-34(36)25-53-43)40-27-63(2)61-59-40/h3-8,12-13,17-22,24-27,37-38,45,49,54H,9-11,14-16,23,28H2,1-2H3,(H,50,55)(H,52,56,65)(H,53,57,66)
InChIKeyMUPIUYURNXSVPO-UHFFFAOYSA-N
MW881.02 g/mol
LogP5.46
Rot. Bonds10

About N-[6-(1-methyltriazol-4-yl)isoquinolin-3-yl]-2-[[2-[7-[4-[[6-(1-methyltriazol-4-yl)isoquinolin-3-yl]carbamoyl]-2-pyridinyl]-2,7-diazaspiro[3.5]nonan-3-yl]piperidin-4-yl]amino]pyridine-4-carboxamide

N-[6-(1-methyltriazol-4-yl)isoquinolin-3-yl]-2-[[2-[7-[4-[[6-(1-methyltriazol-4-yl)isoquinolin-3-yl]carbamoyl]-2-pyridinyl]-2,7-diazaspiro[3.5]nonan-3-yl]piperidin-4-yl]amino]pyridine-4-carboxamide (PubChem CID 134575956) has the molecular formula C48H48N16O2 and a molecular weight of 881.02 g/mol. Its IUPAC name is N-[6-(1-methyltriazol-4-yl)isoquinolin-3-yl]-2-[[2-[7-[4-[[6-(1-methyltriazol-4-yl)isoquinolin-3-yl]carbamoyl]-2-pyridinyl]-2,7-diazaspiro[3.5]nonan-3-yl]piperidin-4-yl]amino]pyridine-4-carboxamide.

Molecular Properties

Compound NameN-[6-(1-methyltriazol-4-yl)isoquinolin-3-yl]-2-[[2-[7-[4-[[6-(1-methyltriazol-4-yl)isoquinolin-3-yl]carbamoyl]-2-pyridinyl]-2,7-diazaspiro[3.5]nonan-3-yl]piperidin-4-yl]amino]pyridine-4-carboxamide
PubChem CID134575956
Molecular FormulaC48H48N16O2
Molecular Weight881.02 g/mol
Exact Mass880.41
IUPAC NameN-[6-(1-methyltriazol-4-yl)isoquinolin-3-yl]-2-[[2-[7-[4-[[6-(1-methyltriazol-4-yl)isoquinolin-3-yl]carbamoyl]-2-pyridinyl]-2,7-diazaspiro[3.5]nonan-3-yl]piperidin-4-yl]amino]pyridine-4-carboxamide
SMILESCn1cc(-c2ccc3cnc(NC(=O)c4ccnc(NC5CCNC(C6NCC67CCN(c6cc(C(=O)Nc8cc9cc(-c%10cn(C)nn%10)ccc9cn8)ccn6)CC7)C5)c4)cc3c2)nn1
InChIInChI=1S/C48H48N16O2/c1-62-26-39(58-60-62)29-3-5-33-24-52-42(20-35(33)17-29)56-46(65)31-7-12-50-41(19-31)55-37-9-14-49-38(23-37)45-48(28-54-45)10-15-64(16-11-48)44-22-32(8-13-51-44)47(66)57-43-21-36-18-30(4-6-34(36)25-53-43)40-27-63(2)61-59-40/h3-8,12-13,17-22,24-27,37-38,45,49,54H,9-11,14-16,23,28H2,1-2H3,(H,50,55)(H,52,56,65)(H,53,57,66)
InChIKeyMUPIUYURNXSVPO-UHFFFAOYSA-N
XLogP5.46
TPSA210.51 Ų
H-Bond Donors5
H-Bond Acceptors16
Rotatable Bonds10
Heavy Atoms66
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500881.02
LogP ≤ 55.46
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 1016

Analyze N-[6-(1-methyltriazol-4-yl)isoquinolin-3-yl]-2-[[2-[7-[4-[[6-(1-methyltriazol-4-yl)isoquinolin-3-yl]carbamoyl]-2-pyridinyl]-2,7-diazaspiro[3.5]nonan-3-yl]piperidin-4-yl]amino]pyridine-4-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-[6-(1-methyltriazol-4-yl)isoquinolin-3-yl]-2-[[2-[7-[4-[[6-(1-methyltriazol-4-yl)isoquinolin-3-yl]carbamoyl]-2-pyridinyl]-2,7-diazaspiro[3.5]nonan-3-yl]piperidin-4-yl]amino]pyridine-4-carboxamide?
The IUPAC name of N-[6-(1-methyltriazol-4-yl)isoquinolin-3-yl]-2-[[2-[7-[4-[[6-(1-methyltriazol-4-yl)isoquinolin-3-yl]carbamoyl]-2-pyridinyl]-2,7-diazaspiro[3.5]nonan-3-yl]piperidin-4-yl]amino]pyridine-4-carboxamide (CID 134575956) is N-[6-(1-methyltriazol-4-yl)isoquinolin-3-yl]-2-[[2-[7-[4-[[6-(1-methyltriazol-4-yl)isoquinolin-3-yl]carbamoyl]-2-pyridinyl]-2,7-diazaspiro[3.5]nonan-3-yl]piperidin-4-yl]amino]pyridine-4-carboxamide.
What is the SMILES notation for N-[6-(1-methyltriazol-4-yl)isoquinolin-3-yl]-2-[[2-[7-[4-[[6-(1-methyltriazol-4-yl)isoquinolin-3-yl]carbamoyl]-2-pyridinyl]-2,7-diazaspiro[3.5]nonan-3-yl]piperidin-4-yl]amino]pyridine-4-carboxamide?
The canonical SMILES for N-[6-(1-methyltriazol-4-yl)isoquinolin-3-yl]-2-[[2-[7-[4-[[6-(1-methyltriazol-4-yl)isoquinolin-3-yl]carbamoyl]-2-pyridinyl]-2,7-diazaspiro[3.5]nonan-3-yl]piperidin-4-yl]amino]pyridine-4-carboxamide is Cn1cc(-c2ccc3cnc(NC(=O)c4ccnc(NC5CCNC(C6NCC67CCN(c6cc(C(=O)Nc8cc9cc(-c%10cn(C)nn%10)ccc9cn8)ccn6)CC7)C5)c4)cc3c2)nn1.
What is the InChIKey of N-[6-(1-methyltriazol-4-yl)isoquinolin-3-yl]-2-[[2-[7-[4-[[6-(1-methyltriazol-4-yl)isoquinolin-3-yl]carbamoyl]-2-pyridinyl]-2,7-diazaspiro[3.5]nonan-3-yl]piperidin-4-yl]amino]pyridine-4-carboxamide?
The InChIKey is MUPIUYURNXSVPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C48H48N16O2/c1-62-26-39(58-60-62)29-3-5-33-24-52-42(20-35(33)17-29)56-46(65)31-7-12-50-41(19-31)55-37-9-14-49-38(23-37)45-48(28-54-45)10-15-64(16-11-48)44-22-32(8-13-51-44)47(66)57-43-21-36-18-30(4-6-34(36)25-53-43)40-27-63(2)61-59-40/h3-8,12-13,17-22,24-27,37-38,45,49,54H,9-11,14-16,23,28H2,1-2H3,(H,50,55)(H,52,56,65)(H,53,57,66).
What are the key properties of N-[6-(1-methyltriazol-4-yl)isoquinolin-3-yl]-2-[[2-[7-[4-[[6-(1-methyltriazol-4-yl)isoquinolin-3-yl]carbamoyl]-2-pyridinyl]-2,7-diazaspiro[3.5]nonan-3-yl]piperidin-4-yl]amino]pyridine-4-carboxamide?
N-[6-(1-methyltriazol-4-yl)isoquinolin-3-yl]-2-[[2-[7-[4-[[6-(1-methyltriazol-4-yl)isoquinolin-3-yl]carbamoyl]-2-pyridinyl]-2,7-diazaspiro[3.5]nonan-3-yl]piperidin-4-yl]amino]pyridine-4-carboxamide has a molecular weight of 881.02 g/mol, XLogP of 5.46, 10 rotatable bonds, 5 hydrogen bond donors, and 16 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-(1-methyltriazol-4-yl)isoquinolin-3-yl]-2-[[2-[7-[4-[[6-(1-methyltriazol-4-yl)isoquinolin-3-yl]carbamoyl]-2-pyridinyl]-2,7-diazaspiro[3.5]nonan-3-yl]piperidin-4-yl]amino]pyridine-4-carboxamide is sourced from PubChem (CID 134575956), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).