N-methyl-N-[2-methyl-6-[[(2-methylpiperidin-4-yl)-(8-pyrazol-1-yl-5H-chromeno[3,4-b]pyridin-3-yl)amino]methyl]piperidin-4-yl]-8-(1H-pyrazol-4-yl)-6H-isochromeno[3,4-b]pyridin-3-amine

C44H48N10O2 — CID 156844595

IUPACN-methyl-N-[2-methyl-6-[[(2-methylpiperidin-4-yl)-(8-pyrazol-1-yl-5H-chromeno[3,4-b]pyridin-3-yl)amino]methyl]piperidin-4-yl]-8-(1H-pyrazol-4-yl)-6H-isochromeno[3,4-b]pyridin-3-amine
SMILESCC1CC(N(CC2CC(N(C)c3ccc4c(n3)OCc3cc(-c5cn[nH]c5)ccc3-4)CC(C)N2)c2ccc3c(n2)COc2cc(-n4cccn4)ccc2-3)CCN1
InChIInChI=1S/C44H48N10O2/c1-27-17-33(13-15-45-27)53(43-12-9-37-38-8-6-34(54-16-4-14-48-54)21-41(38)55-26-40(37)50-43)24-32-20-35(18-28(2)49-32)52(3)42-11-10-39-36-7-5-29(31-22-46-47-23-31)19-30(36)25-56-44(39)51-42/h4-12,14,16,19,21-23,27-28,32-33,35,45,49H,13,15,17-18,20,24-26H2,1-3H3,(H,46,47)
InChIKeySCFAKFQIPKZAAO-UHFFFAOYSA-N
MW748.94 g/mol
LogP6.76
Rot. Bonds8

About N-methyl-N-[2-methyl-6-[[(2-methylpiperidin-4-yl)-(8-pyrazol-1-yl-5H-chromeno[3,4-b]pyridin-3-yl)amino]methyl]piperidin-4-yl]-8-(1H-pyrazol-4-yl)-6H-isochromeno[3,4-b]pyridin-3-amine

N-methyl-N-[2-methyl-6-[[(2-methylpiperidin-4-yl)-(8-pyrazol-1-yl-5H-chromeno[3,4-b]pyridin-3-yl)amino]methyl]piperidin-4-yl]-8-(1H-pyrazol-4-yl)-6H-isochromeno[3,4-b]pyridin-3-amine (PubChem CID 156844595) has the molecular formula C44H48N10O2 and a molecular weight of 748.94 g/mol. Its IUPAC name is N-methyl-N-[2-methyl-6-[[(2-methylpiperidin-4-yl)-(8-pyrazol-1-yl-5H-chromeno[3,4-b]pyridin-3-yl)amino]methyl]piperidin-4-yl]-8-(1H-pyrazol-4-yl)-6H-isochromeno[3,4-b]pyridin-3-amine.

Molecular Properties

Compound NameN-methyl-N-[2-methyl-6-[[(2-methylpiperidin-4-yl)-(8-pyrazol-1-yl-5H-chromeno[3,4-b]pyridin-3-yl)amino]methyl]piperidin-4-yl]-8-(1H-pyrazol-4-yl)-6H-isochromeno[3,4-b]pyridin-3-amine
PubChem CID156844595
Molecular FormulaC44H48N10O2
Molecular Weight748.94 g/mol
Exact Mass748.40
IUPAC NameN-methyl-N-[2-methyl-6-[[(2-methylpiperidin-4-yl)-(8-pyrazol-1-yl-5H-chromeno[3,4-b]pyridin-3-yl)amino]methyl]piperidin-4-yl]-8-(1H-pyrazol-4-yl)-6H-isochromeno[3,4-b]pyridin-3-amine
SMILESCC1CC(N(CC2CC(N(C)c3ccc4c(n3)OCc3cc(-c5cn[nH]c5)ccc3-4)CC(C)N2)c2ccc3c(n2)COc2cc(-n4cccn4)ccc2-3)CCN1
InChIInChI=1S/C44H48N10O2/c1-27-17-33(13-15-45-27)53(43-12-9-37-38-8-6-34(54-16-4-14-48-54)21-41(38)55-26-40(37)50-43)24-32-20-35(18-28(2)49-32)52(3)42-11-10-39-36-7-5-29(31-22-46-47-23-31)19-30(36)25-56-44(39)51-42/h4-12,14,16,19,21-23,27-28,32-33,35,45,49H,13,15,17-18,20,24-26H2,1-3H3,(H,46,47)
InChIKeySCFAKFQIPKZAAO-UHFFFAOYSA-N
XLogP6.76
TPSA121.28 Ų
H-Bond Donors3
H-Bond Acceptors11
Rotatable Bonds8
Heavy Atoms56
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500748.94
LogP ≤ 56.76
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1011

Analyze N-methyl-N-[2-methyl-6-[[(2-methylpiperidin-4-yl)-(8-pyrazol-1-yl-5H-chromeno[3,4-b]pyridin-3-yl)amino]methyl]piperidin-4-yl]-8-(1H-pyrazol-4-yl)-6H-isochromeno[3,4-b]pyridin-3-amine with MolForge

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Related Compounds

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5-[2-[[4-[4-[6-Amino-4-[2-(3-fluorophenyl)pyrazol-3-yl]-3-pyridinyl]-3-methoxyphenyl]-1-methylpiperazin-2-yl]methoxy]-4-(4-methylpiperazin-1-yl)phenyl]-4-[2-[(4-fluorophenyl)methyl]pyrazol-3-yl]pyridin-2-amine
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2-chloro-7-(4,4-difluorocyclohexyl)-8-methyl-6,7-dihydropyrimido[5,4-b][1,4]oxazine;7-(4,4-difluorocyclohexyl)-N-[3-methoxy-4-(1-methylpyrazol-4-yl)phenyl]-8-methyl-6,7-dihydropyrimido[5,4-b][1,4]oxazin-2-amine;5-methoxy-6-(1-methylpyrazol-4-yl)pyridin-3-amine
CID 157757769
N-[[4-[[6-cyclopropyl-4-[(1S,4S)-2,5-diazabicyclo[2.2.1]heptan-2-yl]-7-(6-fluoro-5-methyl-1H-indazol-4-yl)-2-(oxan-4-ylamino)quinazolin-8-yl]oxymethyl]phenyl]methyl]-N-methyl-N'-(3-methylbut-2-en-2-yl)ethanimidamide
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N-[[(1S,3S,5R)-6,6-difluoro-3-[[9-fluoro-8-(1H-pyrazol-4-yl)-6H-isochromeno[3,4-b]pyridin-3-yl]oxy]-8-azabicyclo[3.2.1]octan-1-yl]methyl]-9-fluoro-8-(6-methoxypyridazin-4-yl)-N-(2,2,6,6-tetramethylpiperidin-4-yl)-6H-isochromeno[3,4-b]pyridin-3-amine
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Frequently Asked Questions

What is the IUPAC name of N-methyl-N-[2-methyl-6-[[(2-methylpiperidin-4-yl)-(8-pyrazol-1-yl-5H-chromeno[3,4-b]pyridin-3-yl)amino]methyl]piperidin-4-yl]-8-(1H-pyrazol-4-yl)-6H-isochromeno[3,4-b]pyridin-3-amine?
The IUPAC name of N-methyl-N-[2-methyl-6-[[(2-methylpiperidin-4-yl)-(8-pyrazol-1-yl-5H-chromeno[3,4-b]pyridin-3-yl)amino]methyl]piperidin-4-yl]-8-(1H-pyrazol-4-yl)-6H-isochromeno[3,4-b]pyridin-3-amine (CID 156844595) is N-methyl-N-[2-methyl-6-[[(2-methylpiperidin-4-yl)-(8-pyrazol-1-yl-5H-chromeno[3,4-b]pyridin-3-yl)amino]methyl]piperidin-4-yl]-8-(1H-pyrazol-4-yl)-6H-isochromeno[3,4-b]pyridin-3-amine.
What is the SMILES notation for N-methyl-N-[2-methyl-6-[[(2-methylpiperidin-4-yl)-(8-pyrazol-1-yl-5H-chromeno[3,4-b]pyridin-3-yl)amino]methyl]piperidin-4-yl]-8-(1H-pyrazol-4-yl)-6H-isochromeno[3,4-b]pyridin-3-amine?
The canonical SMILES for N-methyl-N-[2-methyl-6-[[(2-methylpiperidin-4-yl)-(8-pyrazol-1-yl-5H-chromeno[3,4-b]pyridin-3-yl)amino]methyl]piperidin-4-yl]-8-(1H-pyrazol-4-yl)-6H-isochromeno[3,4-b]pyridin-3-amine is CC1CC(N(CC2CC(N(C)c3ccc4c(n3)OCc3cc(-c5cn[nH]c5)ccc3-4)CC(C)N2)c2ccc3c(n2)COc2cc(-n4cccn4)ccc2-3)CCN1.
What is the InChIKey of N-methyl-N-[2-methyl-6-[[(2-methylpiperidin-4-yl)-(8-pyrazol-1-yl-5H-chromeno[3,4-b]pyridin-3-yl)amino]methyl]piperidin-4-yl]-8-(1H-pyrazol-4-yl)-6H-isochromeno[3,4-b]pyridin-3-amine?
The InChIKey is SCFAKFQIPKZAAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C44H48N10O2/c1-27-17-33(13-15-45-27)53(43-12-9-37-38-8-6-34(54-16-4-14-48-54)21-41(38)55-26-40(37)50-43)24-32-20-35(18-28(2)49-32)52(3)42-11-10-39-36-7-5-29(31-22-46-47-23-31)19-30(36)25-56-44(39)51-42/h4-12,14,16,19,21-23,27-28,32-33,35,45,49H,13,15,17-18,20,24-26H2,1-3H3,(H,46,47).
What are the key properties of N-methyl-N-[2-methyl-6-[[(2-methylpiperidin-4-yl)-(8-pyrazol-1-yl-5H-chromeno[3,4-b]pyridin-3-yl)amino]methyl]piperidin-4-yl]-8-(1H-pyrazol-4-yl)-6H-isochromeno[3,4-b]pyridin-3-amine?
N-methyl-N-[2-methyl-6-[[(2-methylpiperidin-4-yl)-(8-pyrazol-1-yl-5H-chromeno[3,4-b]pyridin-3-yl)amino]methyl]piperidin-4-yl]-8-(1H-pyrazol-4-yl)-6H-isochromeno[3,4-b]pyridin-3-amine has a molecular weight of 748.94 g/mol, XLogP of 6.76, 8 rotatable bonds, 3 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-[2-methyl-6-[[(2-methylpiperidin-4-yl)-(8-pyrazol-1-yl-5H-chromeno[3,4-b]pyridin-3-yl)amino]methyl]piperidin-4-yl]-8-(1H-pyrazol-4-yl)-6H-isochromeno[3,4-b]pyridin-3-amine is sourced from PubChem (CID 156844595), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).