N-[(1R)-1-[2-cyclopropyl-6-(methylamino)pyrimidin-4-yl]-2-(1H-indol-3-yl)ethyl]-3-(1-ethyl-3-methylpyrazol-4-yl)propanamide

C27H33N7O — CID 124954349

IUPACN-[(1R)-1-[2-cyclopropyl-6-(methylamino)pyrimidin-4-yl]-2-(1H-indol-3-yl)ethyl]-3-(1-ethyl-3-methylpyrazol-4-yl)propanamide
SMILESCCn1cc(CCC(=O)N[C@H](Cc2c[nH]c3ccccc23)c2cc(NC)nc(C3CC3)n2)c(C)n1
InChIInChI=1S/C27H33N7O/c1-4-34-16-19(17(2)33-34)11-12-26(35)30-23(13-20-15-29-22-8-6-5-7-21(20)22)24-14-25(28-3)32-27(31-24)18-9-10-18/h5-8,14-16,18,23,29H,4,9-13H2,1-3H3,(H,30,35)(H,28,31,32)/t23-/m1/s1
InChIKeyFBZKHZSSXXLHBH-HSZRJFAPSA-N
MW471.61 g/mol
LogP4.43
Rot. Bonds10

About N-[(1R)-1-[2-cyclopropyl-6-(methylamino)pyrimidin-4-yl]-2-(1H-indol-3-yl)ethyl]-3-(1-ethyl-3-methylpyrazol-4-yl)propanamide

N-[(1R)-1-[2-cyclopropyl-6-(methylamino)pyrimidin-4-yl]-2-(1H-indol-3-yl)ethyl]-3-(1-ethyl-3-methylpyrazol-4-yl)propanamide (PubChem CID 124954349) has the molecular formula C27H33N7O and a molecular weight of 471.61 g/mol. Its IUPAC name is N-[(1R)-1-[2-cyclopropyl-6-(methylamino)pyrimidin-4-yl]-2-(1H-indol-3-yl)ethyl]-3-(1-ethyl-3-methylpyrazol-4-yl)propanamide.

Molecular Properties

Compound NameN-[(1R)-1-[2-cyclopropyl-6-(methylamino)pyrimidin-4-yl]-2-(1H-indol-3-yl)ethyl]-3-(1-ethyl-3-methylpyrazol-4-yl)propanamide
PubChem CID124954349
Molecular FormulaC27H33N7O
Molecular Weight471.61 g/mol
Exact Mass471.27
IUPAC NameN-[(1R)-1-[2-cyclopropyl-6-(methylamino)pyrimidin-4-yl]-2-(1H-indol-3-yl)ethyl]-3-(1-ethyl-3-methylpyrazol-4-yl)propanamide
SMILESCCn1cc(CCC(=O)N[C@H](Cc2c[nH]c3ccccc23)c2cc(NC)nc(C3CC3)n2)c(C)n1
InChIInChI=1S/C27H33N7O/c1-4-34-16-19(17(2)33-34)11-12-26(35)30-23(13-20-15-29-22-8-6-5-7-21(20)22)24-14-25(28-3)32-27(31-24)18-9-10-18/h5-8,14-16,18,23,29H,4,9-13H2,1-3H3,(H,30,35)(H,28,31,32)/t23-/m1/s1
InChIKeyFBZKHZSSXXLHBH-HSZRJFAPSA-N
XLogP4.43
TPSA100.52 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500471.61
LogP ≤ 54.43
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

N-[(1R)-1-[2-cyclopropyl-6-(methylamino)pyrimidin-4-yl]-2-(1H-indol-3-yl)ethyl]-2-methoxyacetamide
CID 92610313
N-[(1S)-1-[2-cyclopropyl-6-(methylamino)pyrimidin-4-yl]-2-(1H-indol-3-yl)ethyl]-2-methylpropanamide
CID 92553189
N-[(1S)-1-[2-cyclopropyl-6-(methylamino)pyrimidin-4-yl]-2-(1H-indol-3-yl)ethyl]-2-(3-methylphenyl)acetamide
CID 92560753
N-[1-[2-cyclopropyl-6-(methylamino)pyrimidin-4-yl]-2-(1H-indol-3-yl)ethyl]-2-(3-methylphenyl)acetamide
CID 110218750
N-[(1S)-1-[2-cyclopropyl-6-(methylamino)pyrimidin-4-yl]-2-(1H-indol-3-yl)ethyl]-2-pyridin-3-ylacetamide
CID 124950674
N-[(1R)-1-[2-cyclopropyl-6-(methylamino)pyrimidin-4-yl]-2-(1H-indol-3-yl)ethyl]-3,5-dimethyl-1,2-oxazole-4-carboxamide
CID 92605424
N-[1-[2-cyclopropyl-6-(methylamino)pyrimidin-4-yl]-2-(1H-indol-3-yl)ethyl]-3,5-dimethyl-1,2-oxazole-4-carboxamide
CID 110218767
N-[(1R)-1-[2-cyclopropyl-6-(methylamino)pyrimidin-4-yl]-2-(1H-indol-3-yl)ethyl]-4-methoxycyclohexane-1-carboxamide
CID 98065894
N-[1-[2-cyclopropyl-6-(methylamino)pyrimidin-4-yl]-2-(1H-indol-3-yl)ethyl]-6-methoxypyridine-3-carboxamide
CID 110218729
N-[1-(1-ethyl-3-methylpyrazol-4-yl)ethyl]-4-(1H-indol-3-yl)butanamide
CID 19462809
N-[2-(1H-indol-3-yl)-1-(2-methyl-6-oxo-1H-pyrimidin-4-yl)ethyl]-2-(3,4,5-trimethylpyrazol-1-yl)acetamide
CID 136761392
N-[(1S)-2-(1H-indol-3-yl)-1-(2-methyl-6-oxo-1H-pyrimidin-4-yl)ethyl]-2-(2-methylphenyl)acetamide
CID 136763352

Frequently Asked Questions

What is the IUPAC name of N-[(1R)-1-[2-cyclopropyl-6-(methylamino)pyrimidin-4-yl]-2-(1H-indol-3-yl)ethyl]-3-(1-ethyl-3-methylpyrazol-4-yl)propanamide?
The IUPAC name of N-[(1R)-1-[2-cyclopropyl-6-(methylamino)pyrimidin-4-yl]-2-(1H-indol-3-yl)ethyl]-3-(1-ethyl-3-methylpyrazol-4-yl)propanamide (CID 124954349) is N-[(1R)-1-[2-cyclopropyl-6-(methylamino)pyrimidin-4-yl]-2-(1H-indol-3-yl)ethyl]-3-(1-ethyl-3-methylpyrazol-4-yl)propanamide.
What is the SMILES notation for N-[(1R)-1-[2-cyclopropyl-6-(methylamino)pyrimidin-4-yl]-2-(1H-indol-3-yl)ethyl]-3-(1-ethyl-3-methylpyrazol-4-yl)propanamide?
The canonical SMILES for N-[(1R)-1-[2-cyclopropyl-6-(methylamino)pyrimidin-4-yl]-2-(1H-indol-3-yl)ethyl]-3-(1-ethyl-3-methylpyrazol-4-yl)propanamide is CCn1cc(CCC(=O)N[C@H](Cc2c[nH]c3ccccc23)c2cc(NC)nc(C3CC3)n2)c(C)n1.
What is the InChIKey of N-[(1R)-1-[2-cyclopropyl-6-(methylamino)pyrimidin-4-yl]-2-(1H-indol-3-yl)ethyl]-3-(1-ethyl-3-methylpyrazol-4-yl)propanamide?
The InChIKey is FBZKHZSSXXLHBH-HSZRJFAPSA-N. The full InChI is InChI=1S/C27H33N7O/c1-4-34-16-19(17(2)33-34)11-12-26(35)30-23(13-20-15-29-22-8-6-5-7-21(20)22)24-14-25(28-3)32-27(31-24)18-9-10-18/h5-8,14-16,18,23,29H,4,9-13H2,1-3H3,(H,30,35)(H,28,31,32)/t23-/m1/s1.
What are the key properties of N-[(1R)-1-[2-cyclopropyl-6-(methylamino)pyrimidin-4-yl]-2-(1H-indol-3-yl)ethyl]-3-(1-ethyl-3-methylpyrazol-4-yl)propanamide?
N-[(1R)-1-[2-cyclopropyl-6-(methylamino)pyrimidin-4-yl]-2-(1H-indol-3-yl)ethyl]-3-(1-ethyl-3-methylpyrazol-4-yl)propanamide has a molecular weight of 471.61 g/mol, XLogP of 4.43, 10 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R)-1-[2-cyclopropyl-6-(methylamino)pyrimidin-4-yl]-2-(1H-indol-3-yl)ethyl]-3-(1-ethyl-3-methylpyrazol-4-yl)propanamide is sourced from PubChem (CID 124954349), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).