2-[(3R)-3-hydroxypyrrolidine-1-carbonyl]-5-[[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]amino]-1H-quinolin-4-one

C24H25N7O3 — CID 138524744

IUPAC2-[(3R)-3-hydroxypyrrolidine-1-carbonyl]-5-[[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]amino]-1H-quinolin-4-one
SMILESCC(C)n1cnnc1-c1cccc(Nc2cccc3[nH]c(C(=O)N4CC[C@@H](O)C4)cc(=O)c23)n1
InChIInChI=1S/C24H25N7O3/c1-14(2)31-13-25-29-23(31)18-7-4-8-21(28-18)27-17-6-3-5-16-22(17)20(33)11-19(26-16)24(34)30-10-9-15(32)12-30/h3-8,11,13-15,32H,9-10,12H2,1-2H3,(H,26,33)(H,27,28)/t15-/m1/s1
InChIKeyKCCLTYFUDJFHOA-OAHLLOKOSA-N
MW459.51 g/mol
LogP2.71
Rot. Bonds5

About 2-[(3R)-3-hydroxypyrrolidine-1-carbonyl]-5-[[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]amino]-1H-quinolin-4-one

2-[(3R)-3-hydroxypyrrolidine-1-carbonyl]-5-[[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]amino]-1H-quinolin-4-one (PubChem CID 138524744) has the molecular formula C24H25N7O3 and a molecular weight of 459.51 g/mol. Its IUPAC name is 2-[(3R)-3-hydroxypyrrolidine-1-carbonyl]-5-[[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]amino]-1H-quinolin-4-one.

Molecular Properties

Compound Name2-[(3R)-3-hydroxypyrrolidine-1-carbonyl]-5-[[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]amino]-1H-quinolin-4-one
PubChem CID138524744
Molecular FormulaC24H25N7O3
Molecular Weight459.51 g/mol
Exact Mass459.20
IUPAC Name2-[(3R)-3-hydroxypyrrolidine-1-carbonyl]-5-[[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]amino]-1H-quinolin-4-one
SMILESCC(C)n1cnnc1-c1cccc(Nc2cccc3[nH]c(C(=O)N4CC[C@@H](O)C4)cc(=O)c23)n1
InChIInChI=1S/C24H25N7O3/c1-14(2)31-13-25-29-23(31)18-7-4-8-21(28-18)27-17-6-3-5-16-22(17)20(33)11-19(26-16)24(34)30-10-9-15(32)12-30/h3-8,11,13-15,32H,9-10,12H2,1-2H3,(H,26,33)(H,27,28)/t15-/m1/s1
InChIKeyKCCLTYFUDJFHOA-OAHLLOKOSA-N
XLogP2.71
TPSA129.03 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500459.51
LogP ≤ 52.71
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

Analyze 2-[(3R)-3-hydroxypyrrolidine-1-carbonyl]-5-[[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]amino]-1H-quinolin-4-one with MolForge

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Launch Full Analysis

Related Compounds

2-[(3R)-3-aminopyrrolidine-1-carbonyl]-5-[[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]amino]-1H-quinolin-4-one
CID 138524794
methyl 4-oxo-5-[[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]amino]-1H-quinoline-2-carboxylate
CID 138524624
2-(3-aminopyrrolidine-1-carbonyl)-5-[[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]amino]chromen-4-one
CID 138524656
N-[2-(3-hydroxypyrrolidin-1-yl)ethyl]-4-oxo-5-[[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]amino]chromene-2-carboxamide
CID 138524522
2-(morpholine-4-carbonyl)-5-[[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]amino]chromen-4-one
CID 138524584
2-(3,4-dihydro-1H-isoquinoline-2-carbonyl)-5-[[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]amino]chromen-4-one
CID 138524565
2-(hydroxymethyl)-5-[[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]amino]chromen-4-one
CID 138524585
7-[[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]amino]isoindol-1-one
CID 138524614
2-oxo-N-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]-1H-pyridine-3-carboxamide
CID 153384507
N-[2-[3-oxo-4-[[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]amino]-1H-isoindol-2-yl]ethyl]acetamide
CID 138524558
3-bromo-N-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]-1H-indole-2-carboxamide
CID 155671011
6-fluoro-1-methyl-2-oxo-N-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]-3H-benzimidazole-5-carboxamide
CID 154991692

Frequently Asked Questions

What is the IUPAC name of 2-[(3R)-3-hydroxypyrrolidine-1-carbonyl]-5-[[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]amino]-1H-quinolin-4-one?
The IUPAC name of 2-[(3R)-3-hydroxypyrrolidine-1-carbonyl]-5-[[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]amino]-1H-quinolin-4-one (CID 138524744) is 2-[(3R)-3-hydroxypyrrolidine-1-carbonyl]-5-[[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]amino]-1H-quinolin-4-one.
What is the SMILES notation for 2-[(3R)-3-hydroxypyrrolidine-1-carbonyl]-5-[[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]amino]-1H-quinolin-4-one?
The canonical SMILES for 2-[(3R)-3-hydroxypyrrolidine-1-carbonyl]-5-[[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]amino]-1H-quinolin-4-one is CC(C)n1cnnc1-c1cccc(Nc2cccc3[nH]c(C(=O)N4CC[C@@H](O)C4)cc(=O)c23)n1.
What is the InChIKey of 2-[(3R)-3-hydroxypyrrolidine-1-carbonyl]-5-[[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]amino]-1H-quinolin-4-one?
The InChIKey is KCCLTYFUDJFHOA-OAHLLOKOSA-N. The full InChI is InChI=1S/C24H25N7O3/c1-14(2)31-13-25-29-23(31)18-7-4-8-21(28-18)27-17-6-3-5-16-22(17)20(33)11-19(26-16)24(34)30-10-9-15(32)12-30/h3-8,11,13-15,32H,9-10,12H2,1-2H3,(H,26,33)(H,27,28)/t15-/m1/s1.
What are the key properties of 2-[(3R)-3-hydroxypyrrolidine-1-carbonyl]-5-[[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]amino]-1H-quinolin-4-one?
2-[(3R)-3-hydroxypyrrolidine-1-carbonyl]-5-[[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]amino]-1H-quinolin-4-one has a molecular weight of 459.51 g/mol, XLogP of 2.71, 5 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3R)-3-hydroxypyrrolidine-1-carbonyl]-5-[[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]amino]-1H-quinolin-4-one is sourced from PubChem (CID 138524744), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).