(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

C27H25N5O5 — CID 59463050

IUPAC(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
SMILESCc1c(C(=O)O)ccc2c1CC[C@@H]2NC(=O)c1cc(C(=O)N[C@H](CO)c2ccccc2)nc2ccnn12
InChIInChI=1S/C27H25N5O5/c1-15-17-9-10-20(19(17)8-7-18(15)27(36)37)30-26(35)23-13-21(29-24-11-12-28-32(23)24)25(34)31-22(14-33)16-5-3-2-4-6-16/h2-8,11-13,20,22,33H,9-10,14H2,1H3,(H,30,35)(H,31,34)(H,36,37)/t20-,22+/m0/s1
InChIKeyXLGPMDIHRWQKSR-RBBKRZOGSA-N
MW499.53 g/mol
LogP2.62
Rot. Bonds7

About (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

(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 (PubChem CID 59463050) has the molecular formula C27H25N5O5 and a molecular weight of 499.53 g/mol. Its IUPAC name is (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.

Molecular Properties

Compound Name(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
PubChem CID59463050
Molecular FormulaC27H25N5O5
Molecular Weight499.53 g/mol
Exact Mass499.19
IUPAC Name(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
SMILESCc1c(C(=O)O)ccc2c1CC[C@@H]2NC(=O)c1cc(C(=O)N[C@H](CO)c2ccccc2)nc2ccnn12
InChIInChI=1S/C27H25N5O5/c1-15-17-9-10-20(19(17)8-7-18(15)27(36)37)30-26(35)23-13-21(29-24-11-12-28-32(23)24)25(34)31-22(14-33)16-5-3-2-4-6-16/h2-8,11-13,20,22,33H,9-10,14H2,1H3,(H,30,35)(H,31,34)(H,36,37)/t20-,22+/m0/s1
InChIKeyXLGPMDIHRWQKSR-RBBKRZOGSA-N
XLogP2.62
TPSA145.92 Ų
H-Bond Donors4
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms37
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500499.53
LogP ≤ 52.62
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 107

Analyze (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 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-[[(1R)-1-cyclohexylethyl]carbamoyl]pyrazolo[1,5-a]pyrimidine-7-carbonyl]amino]-4-methyl-2,3-dihydro-1H-indene-5-carboxylic acid
CID 59462283
(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-[(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
(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-[(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
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
(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
(1S)-1-[[5-[[3-(cyanoamino)-2H-1,4-benzoxazin-6-yl]methylcarbamoyl]pyrazolo[1,5-a]pyrimidine-7-carbonyl]amino]-4-methyl-2,3-dihydro-1H-indene-5-carboxylic acid
CID 89076842
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

Frequently Asked Questions

What is the IUPAC name of (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?
The IUPAC name of (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) is (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.
What is the SMILES notation for (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?
The canonical SMILES for (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 is Cc1c(C(=O)O)ccc2c1CC[C@@H]2NC(=O)c1cc(C(=O)N[C@H](CO)c2ccccc2)nc2ccnn12.
What is the InChIKey of (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?
The InChIKey is XLGPMDIHRWQKSR-RBBKRZOGSA-N. The full InChI is InChI=1S/C27H25N5O5/c1-15-17-9-10-20(19(17)8-7-18(15)27(36)37)30-26(35)23-13-21(29-24-11-12-28-32(23)24)25(34)31-22(14-33)16-5-3-2-4-6-16/h2-8,11-13,20,22,33H,9-10,14H2,1H3,(H,30,35)(H,31,34)(H,36,37)/t20-,22+/m0/s1.
What are the key properties of (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?
(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 has a molecular weight of 499.53 g/mol, XLogP of 2.62, 7 rotatable bonds, 4 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (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 is sourced from PubChem (CID 59463050), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).