(1S)-1-[[5-[[(1R)-1-cyclohexylethyl]carbamoyl]pyrazolo[1,5-a]pyrimidine-7-carbonyl]amino]-4-methyl-2,3-dihydro-1H-indene-5-carboxylic acid

C27H31N5O4 — CID 59462283

IUPAC(1S)-1-[[5-[[(1R)-1-cyclohexylethyl]carbamoyl]pyrazolo[1,5-a]pyrimidine-7-carbonyl]amino]-4-methyl-2,3-dihydro-1H-indene-5-carboxylic acid
SMILESCc1c(C(=O)O)ccc2c1CC[C@@H]2NC(=O)c1cc(C(=O)N[C@H](C)C2CCCCC2)nc2ccnn12
InChIInChI=1S/C27H31N5O4/c1-15-18-10-11-21(20(18)9-8-19(15)27(35)36)31-26(34)23-14-22(30-24-12-13-28-32(23)24)25(33)29-16(2)17-6-4-3-5-7-17/h8-9,12-14,16-17,21H,3-7,10-11H2,1-2H3,(H,29,33)(H,31,34)(H,35,36)/t16-,21+/m1/s1
InChIKeyIYJRQEMRQKQLFB-IERDGZPVSA-N
MW489.58 g/mol
LogP3.85
Rot. Bonds6

About (1S)-1-[[5-[[(1R)-1-cyclohexylethyl]carbamoyl]pyrazolo[1,5-a]pyrimidine-7-carbonyl]amino]-4-methyl-2,3-dihydro-1H-indene-5-carboxylic acid

(1S)-1-[[5-[[(1R)-1-cyclohexylethyl]carbamoyl]pyrazolo[1,5-a]pyrimidine-7-carbonyl]amino]-4-methyl-2,3-dihydro-1H-indene-5-carboxylic acid (PubChem CID 59462283) has the molecular formula C27H31N5O4 and a molecular weight of 489.58 g/mol. Its IUPAC name is (1S)-1-[[5-[[(1R)-1-cyclohexylethyl]carbamoyl]pyrazolo[1,5-a]pyrimidine-7-carbonyl]amino]-4-methyl-2,3-dihydro-1H-indene-5-carboxylic acid.

Molecular Properties

Compound Name(1S)-1-[[5-[[(1R)-1-cyclohexylethyl]carbamoyl]pyrazolo[1,5-a]pyrimidine-7-carbonyl]amino]-4-methyl-2,3-dihydro-1H-indene-5-carboxylic acid
PubChem CID59462283
Molecular FormulaC27H31N5O4
Molecular Weight489.58 g/mol
Exact Mass489.24
IUPAC Name(1S)-1-[[5-[[(1R)-1-cyclohexylethyl]carbamoyl]pyrazolo[1,5-a]pyrimidine-7-carbonyl]amino]-4-methyl-2,3-dihydro-1H-indene-5-carboxylic acid
SMILESCc1c(C(=O)O)ccc2c1CC[C@@H]2NC(=O)c1cc(C(=O)N[C@H](C)C2CCCCC2)nc2ccnn12
InChIInChI=1S/C27H31N5O4/c1-15-18-10-11-21(20(18)9-8-19(15)27(35)36)31-26(34)23-14-22(30-24-12-13-28-32(23)24)25(33)29-16(2)17-6-4-3-5-7-17/h8-9,12-14,16-17,21H,3-7,10-11H2,1-2H3,(H,29,33)(H,31,34)(H,35,36)/t16-,21+/m1/s1
InChIKeyIYJRQEMRQKQLFB-IERDGZPVSA-N
XLogP3.85
TPSA125.69 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500489.58
LogP ≤ 53.85
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze (1S)-1-[[5-[[(1R)-1-cyclohexylethyl]carbamoyl]pyrazolo[1,5-a]pyrimidine-7-carbonyl]amino]-4-methyl-2,3-dihydro-1H-indene-5-carboxylic acid with MolForge

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Related Compounds

(1S)-4-methyl-1-[[5-(3-methylbutan-2-ylcarbamoyl)pyrazolo[1,5-a]pyrimidine-7-carbonyl]amino]-2,3-dihydro-1H-indene-5-carboxylic acid
CID 71173144
(1S)-1-[[5-[[(1S)-2-hydroxy-1-phenylethyl]carbamoyl]pyrazolo[1,5-a]pyrimidine-7-carbonyl]amino]-4-methyl-2,3-dihydro-1H-indene-5-carboxylic acid
CID 59463050
(1S)-1-[[5-[(4aR,8aS)-3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinoline-2-carbonyl]pyrazolo[1,5-a]pyrimidine-7-carbonyl]amino]-4-methyl-2,3-dihydro-1H-indene-5-carboxylic acid
CID 59461383
(1S)-1-[[5-[(3,5-difluorophenyl)methylcarbamoyl]pyrazolo[1,5-a]pyrimidine-7-carbonyl]amino]-4-methyl-2,3-dihydro-1H-indene-5-carboxylic acid
CID 12001168
(1S)-1-[[5-[(5-ethynylthiophen-2-yl)methylcarbamoyl]pyrazolo[1,5-a]pyrimidine-7-carbonyl]amino]-4-methyl-2,3-dihydro-1H-indene-5-carboxylic acid
CID 89189879
7-[[(1S)-4-methyl-5-[(2-methylpropan-2-yl)oxycarbonyl]-2,3-dihydro-1H-inden-1-yl]carbamoyl]pyrazolo[1,5-a]pyrimidine-5-carboxylic acid
CID 56951103
(1S)-4-methyl-1-[[5-[(2-methyl-1,3-benzothiazol-5-yl)methylcarbamoyl]pyrazolo[1,5-a]pyrimidine-7-carbonyl]amino]-2,3-dihydro-1H-indene-5-carboxylic acid
CID 59461221
(1R)-1-[[5-[(2-cyano-4-pyridinyl)methylcarbamoyl]pyrazolo[1,5-a]pyrimidine-7-carbonyl]amino]-4-methyl-2,3-dihydro-1H-indene-5-carboxylic acid
CID 24871903
(1S)-1-[[5-[(1-benzylpiperidin-4-yl)methylcarbamoyl]pyrazolo[1,5-a]pyrimidine-7-carbonyl]amino]-4-methyl-2,3-dihydro-1H-indene-5-carboxylic acid
CID 59462198
(1S)-1-[[5-(2,1,3-benzothiadiazol-5-ylmethylcarbamoyl)pyrazolo[1,5-a]pyrimidine-7-carbonyl]amino]-4-methyl-2,3-dihydro-1H-indene-5-carboxylic acid
CID 59460866
7-N-[(1S)-5-acetyl-4-methyl-2,3-dihydro-1H-inden-1-yl]-5-N-[(2-fluoro-4-pyridinyl)methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide
CID 59461113
(1S)-1-[[5-[[3-[[[2-(dimethylamino)-3,4-dioxocyclobuten-1-yl]amino]methyl]phenyl]methylcarbamoyl]pyrazolo[1,5-a]pyrimidine-7-carbonyl]amino]-4-methyl-2,3-dihydro-1H-indene-5-carboxylic acid
CID 59462619

Frequently Asked Questions

What is the IUPAC name of (1S)-1-[[5-[[(1R)-1-cyclohexylethyl]carbamoyl]pyrazolo[1,5-a]pyrimidine-7-carbonyl]amino]-4-methyl-2,3-dihydro-1H-indene-5-carboxylic acid?
The IUPAC name of (1S)-1-[[5-[[(1R)-1-cyclohexylethyl]carbamoyl]pyrazolo[1,5-a]pyrimidine-7-carbonyl]amino]-4-methyl-2,3-dihydro-1H-indene-5-carboxylic acid (CID 59462283) is (1S)-1-[[5-[[(1R)-1-cyclohexylethyl]carbamoyl]pyrazolo[1,5-a]pyrimidine-7-carbonyl]amino]-4-methyl-2,3-dihydro-1H-indene-5-carboxylic acid.
What is the SMILES notation for (1S)-1-[[5-[[(1R)-1-cyclohexylethyl]carbamoyl]pyrazolo[1,5-a]pyrimidine-7-carbonyl]amino]-4-methyl-2,3-dihydro-1H-indene-5-carboxylic acid?
The canonical SMILES for (1S)-1-[[5-[[(1R)-1-cyclohexylethyl]carbamoyl]pyrazolo[1,5-a]pyrimidine-7-carbonyl]amino]-4-methyl-2,3-dihydro-1H-indene-5-carboxylic acid is Cc1c(C(=O)O)ccc2c1CC[C@@H]2NC(=O)c1cc(C(=O)N[C@H](C)C2CCCCC2)nc2ccnn12.
What is the InChIKey of (1S)-1-[[5-[[(1R)-1-cyclohexylethyl]carbamoyl]pyrazolo[1,5-a]pyrimidine-7-carbonyl]amino]-4-methyl-2,3-dihydro-1H-indene-5-carboxylic acid?
The InChIKey is IYJRQEMRQKQLFB-IERDGZPVSA-N. The full InChI is InChI=1S/C27H31N5O4/c1-15-18-10-11-21(20(18)9-8-19(15)27(35)36)31-26(34)23-14-22(30-24-12-13-28-32(23)24)25(33)29-16(2)17-6-4-3-5-7-17/h8-9,12-14,16-17,21H,3-7,10-11H2,1-2H3,(H,29,33)(H,31,34)(H,35,36)/t16-,21+/m1/s1.
What are the key properties of (1S)-1-[[5-[[(1R)-1-cyclohexylethyl]carbamoyl]pyrazolo[1,5-a]pyrimidine-7-carbonyl]amino]-4-methyl-2,3-dihydro-1H-indene-5-carboxylic acid?
(1S)-1-[[5-[[(1R)-1-cyclohexylethyl]carbamoyl]pyrazolo[1,5-a]pyrimidine-7-carbonyl]amino]-4-methyl-2,3-dihydro-1H-indene-5-carboxylic acid has a molecular weight of 489.58 g/mol, XLogP of 3.85, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-1-[[5-[[(1R)-1-cyclohexylethyl]carbamoyl]pyrazolo[1,5-a]pyrimidine-7-carbonyl]amino]-4-methyl-2,3-dihydro-1H-indene-5-carboxylic acid is sourced from PubChem (CID 59462283), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).