4-[2-[3-[2-[(1,5-dimethylpyrazol-3-yl)amino]-5-methylpyrimidin-4-yl]-1H-indol-7-yl]-1-oxo-3H-isoindol-4-yl]-3,6-dihydro-2H-pyridine-1-carboxamide

C32H31N9O2 — CID 170673040

IUPAC4-[2-[3-[2-[(1,5-dimethylpyrazol-3-yl)amino]-5-methylpyrimidin-4-yl]-1H-indol-7-yl]-1-oxo-3H-isoindol-4-yl]-3,6-dihydro-2H-pyridine-1-carboxamide
SMILESCc1cnc(Nc2cc(C)n(C)n2)nc1-c1c[nH]c2c(N3Cc4c(cccc4C4=CCN(C(N)=O)CC4)C3=O)cccc12
InChIInChI=1S/C32H31N9O2/c1-18-15-35-32(36-27-14-19(2)39(3)38-27)37-28(18)24-16-34-29-22(24)7-5-9-26(29)41-17-25-21(6-4-8-23(25)30(41)42)20-10-12-40(13-11-20)31(33)43/h4-10,14-16,34H,11-13,17H2,1-3H3,(H2,33,43)(H,35,36,37,38)
InChIKeyQZGICFGNZFEJIR-UHFFFAOYSA-N
MW573.66 g/mol
LogP5.05
Rot. Bonds5

About 4-[2-[3-[2-[(1,5-dimethylpyrazol-3-yl)amino]-5-methylpyrimidin-4-yl]-1H-indol-7-yl]-1-oxo-3H-isoindol-4-yl]-3,6-dihydro-2H-pyridine-1-carboxamide

4-[2-[3-[2-[(1,5-dimethylpyrazol-3-yl)amino]-5-methylpyrimidin-4-yl]-1H-indol-7-yl]-1-oxo-3H-isoindol-4-yl]-3,6-dihydro-2H-pyridine-1-carboxamide (PubChem CID 170673040) has the molecular formula C32H31N9O2 and a molecular weight of 573.66 g/mol. Its IUPAC name is 4-[2-[3-[2-[(1,5-dimethylpyrazol-3-yl)amino]-5-methylpyrimidin-4-yl]-1H-indol-7-yl]-1-oxo-3H-isoindol-4-yl]-3,6-dihydro-2H-pyridine-1-carboxamide.

Molecular Properties

Compound Name4-[2-[3-[2-[(1,5-dimethylpyrazol-3-yl)amino]-5-methylpyrimidin-4-yl]-1H-indol-7-yl]-1-oxo-3H-isoindol-4-yl]-3,6-dihydro-2H-pyridine-1-carboxamide
PubChem CID170673040
Molecular FormulaC32H31N9O2
Molecular Weight573.66 g/mol
Exact Mass573.26
IUPAC Name4-[2-[3-[2-[(1,5-dimethylpyrazol-3-yl)amino]-5-methylpyrimidin-4-yl]-1H-indol-7-yl]-1-oxo-3H-isoindol-4-yl]-3,6-dihydro-2H-pyridine-1-carboxamide
SMILESCc1cnc(Nc2cc(C)n(C)n2)nc1-c1c[nH]c2c(N3Cc4c(cccc4C4=CCN(C(N)=O)CC4)C3=O)cccc12
InChIInChI=1S/C32H31N9O2/c1-18-15-35-32(36-27-14-19(2)39(3)38-27)37-28(18)24-16-34-29-22(24)7-5-9-26(29)41-17-25-21(6-4-8-23(25)30(41)42)20-10-12-40(13-11-20)31(33)43/h4-10,14-16,34H,11-13,17H2,1-3H3,(H2,33,43)(H,35,36,37,38)
InChIKeyQZGICFGNZFEJIR-UHFFFAOYSA-N
XLogP5.05
TPSA138.06 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms43
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500573.66
LogP ≤ 55.05
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 4-[2-[3-[2-[(1,5-dimethylpyrazol-3-yl)amino]-5-methylpyrimidin-4-yl]-1H-indol-7-yl]-1-oxo-3H-isoindol-4-yl]-3,6-dihydro-2H-pyridine-1-carboxamide?
The IUPAC name of 4-[2-[3-[2-[(1,5-dimethylpyrazol-3-yl)amino]-5-methylpyrimidin-4-yl]-1H-indol-7-yl]-1-oxo-3H-isoindol-4-yl]-3,6-dihydro-2H-pyridine-1-carboxamide (CID 170673040) is 4-[2-[3-[2-[(1,5-dimethylpyrazol-3-yl)amino]-5-methylpyrimidin-4-yl]-1H-indol-7-yl]-1-oxo-3H-isoindol-4-yl]-3,6-dihydro-2H-pyridine-1-carboxamide.
What is the SMILES notation for 4-[2-[3-[2-[(1,5-dimethylpyrazol-3-yl)amino]-5-methylpyrimidin-4-yl]-1H-indol-7-yl]-1-oxo-3H-isoindol-4-yl]-3,6-dihydro-2H-pyridine-1-carboxamide?
The canonical SMILES for 4-[2-[3-[2-[(1,5-dimethylpyrazol-3-yl)amino]-5-methylpyrimidin-4-yl]-1H-indol-7-yl]-1-oxo-3H-isoindol-4-yl]-3,6-dihydro-2H-pyridine-1-carboxamide is Cc1cnc(Nc2cc(C)n(C)n2)nc1-c1c[nH]c2c(N3Cc4c(cccc4C4=CCN(C(N)=O)CC4)C3=O)cccc12.
What is the InChIKey of 4-[2-[3-[2-[(1,5-dimethylpyrazol-3-yl)amino]-5-methylpyrimidin-4-yl]-1H-indol-7-yl]-1-oxo-3H-isoindol-4-yl]-3,6-dihydro-2H-pyridine-1-carboxamide?
The InChIKey is QZGICFGNZFEJIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H31N9O2/c1-18-15-35-32(36-27-14-19(2)39(3)38-27)37-28(18)24-16-34-29-22(24)7-5-9-26(29)41-17-25-21(6-4-8-23(25)30(41)42)20-10-12-40(13-11-20)31(33)43/h4-10,14-16,34H,11-13,17H2,1-3H3,(H2,33,43)(H,35,36,37,38).
What are the key properties of 4-[2-[3-[2-[(1,5-dimethylpyrazol-3-yl)amino]-5-methylpyrimidin-4-yl]-1H-indol-7-yl]-1-oxo-3H-isoindol-4-yl]-3,6-dihydro-2H-pyridine-1-carboxamide?
4-[2-[3-[2-[(1,5-dimethylpyrazol-3-yl)amino]-5-methylpyrimidin-4-yl]-1H-indol-7-yl]-1-oxo-3H-isoindol-4-yl]-3,6-dihydro-2H-pyridine-1-carboxamide has a molecular weight of 573.66 g/mol, XLogP of 5.05, 5 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-[3-[2-[(1,5-dimethylpyrazol-3-yl)amino]-5-methylpyrimidin-4-yl]-1H-indol-7-yl]-1-oxo-3H-isoindol-4-yl]-3,6-dihydro-2H-pyridine-1-carboxamide is sourced from PubChem (CID 170673040), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).