2-(3-aminopyrrolidine-1-carbonyl)-5-[[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]amino]chromen-4-one

C24H25N7O3 — CID 138524656

IUPAC2-(3-aminopyrrolidine-1-carbonyl)-5-[[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]amino]chromen-4-one
SMILESCC(C)n1cnnc1-c1cccc(Nc2cccc3oc(C(=O)N4CCC(N)C4)cc(=O)c23)n1
InChIInChI=1S/C24H25N7O3/c1-14(2)31-13-26-29-23(31)17-6-4-8-21(28-17)27-16-5-3-7-19-22(16)18(32)11-20(34-19)24(33)30-10-9-15(25)12-30/h3-8,11,13-15H,9-10,12,25H2,1-2H3,(H,27,28)
InChIKeyOUASPWCIYMYFTR-UHFFFAOYSA-N
MW459.51 g/mol
LogP2.94
Rot. Bonds5

About 2-(3-aminopyrrolidine-1-carbonyl)-5-[[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]amino]chromen-4-one

2-(3-aminopyrrolidine-1-carbonyl)-5-[[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]amino]chromen-4-one (PubChem CID 138524656) has the molecular formula C24H25N7O3 and a molecular weight of 459.51 g/mol. Its IUPAC name is 2-(3-aminopyrrolidine-1-carbonyl)-5-[[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]amino]chromen-4-one.

Molecular Properties

Compound Name2-(3-aminopyrrolidine-1-carbonyl)-5-[[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]amino]chromen-4-one
PubChem CID138524656
Molecular FormulaC24H25N7O3
Molecular Weight459.51 g/mol
Exact Mass459.20
IUPAC Name2-(3-aminopyrrolidine-1-carbonyl)-5-[[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]amino]chromen-4-one
SMILESCC(C)n1cnnc1-c1cccc(Nc2cccc3oc(C(=O)N4CCC(N)C4)cc(=O)c23)n1
InChIInChI=1S/C24H25N7O3/c1-14(2)31-13-26-29-23(31)17-6-4-8-21(28-17)27-16-5-3-7-19-22(16)18(32)11-20(34-19)24(33)30-10-9-15(25)12-30/h3-8,11,13-15H,9-10,12,25H2,1-2H3,(H,27,28)
InChIKeyOUASPWCIYMYFTR-UHFFFAOYSA-N
XLogP2.94
TPSA132.17 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500459.51
LogP ≤ 52.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

Analyze 2-(3-aminopyrrolidine-1-carbonyl)-5-[[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]amino]chromen-4-one with MolForge

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Launch Full Analysis

Related Compounds

2-(4-methylpiperazine-1-carbonyl)-5-[[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]amino]chromen-4-one
CID 138524659
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-[(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
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
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-[(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
2-(hydroxymethyl)-5-[[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]amino]chromen-4-one
CID 138524585
2-[(3R)-3-aminopyrrolidine-1-carbonyl]-5-methylchromen-4-one
CID 138533301
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-[(3R)-3-fluoropyrrolidine-1-carbonyl]-5-methylchromen-4-one
CID 138533307
7-[[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]amino]isoindol-1-one
CID 138524614
(3-aminopyrrolidin-1-yl)-(1-benzofuran-2-yl)methanone;hydrochloride
CID 119482537

Frequently Asked Questions

What is the IUPAC name of 2-(3-aminopyrrolidine-1-carbonyl)-5-[[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]amino]chromen-4-one?
The IUPAC name of 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) is 2-(3-aminopyrrolidine-1-carbonyl)-5-[[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]amino]chromen-4-one.
What is the SMILES notation for 2-(3-aminopyrrolidine-1-carbonyl)-5-[[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]amino]chromen-4-one?
The canonical SMILES for 2-(3-aminopyrrolidine-1-carbonyl)-5-[[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]amino]chromen-4-one is CC(C)n1cnnc1-c1cccc(Nc2cccc3oc(C(=O)N4CCC(N)C4)cc(=O)c23)n1.
What is the InChIKey of 2-(3-aminopyrrolidine-1-carbonyl)-5-[[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]amino]chromen-4-one?
The InChIKey is OUASPWCIYMYFTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25N7O3/c1-14(2)31-13-26-29-23(31)17-6-4-8-21(28-17)27-16-5-3-7-19-22(16)18(32)11-20(34-19)24(33)30-10-9-15(25)12-30/h3-8,11,13-15H,9-10,12,25H2,1-2H3,(H,27,28).
What are the key properties of 2-(3-aminopyrrolidine-1-carbonyl)-5-[[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]amino]chromen-4-one?
2-(3-aminopyrrolidine-1-carbonyl)-5-[[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]amino]chromen-4-one has a molecular weight of 459.51 g/mol, XLogP of 2.94, 5 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-aminopyrrolidine-1-carbonyl)-5-[[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]amino]chromen-4-one is sourced from PubChem (CID 138524656), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).