(1S)-1-[[3-fluoro-5-[(2-morpholin-4-yl-4-pyridinyl)methylcarbamoyl]pyrazolo[1,5-a]pyrimidine-7-carbonyl]amino]-4-methyl-2,3-dihydro-1H-indene-5-carboxylic acid

C29H28FN7O5 — CID 59460941

IUPAC(1S)-1-[[3-fluoro-5-[(2-morpholin-4-yl-4-pyridinyl)methylcarbamoyl]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)NCc2ccnc(N3CCOCC3)c2)nc2c(F)cnn12
InChIInChI=1S/C29H28FN7O5/c1-16-18-4-5-22(20(18)3-2-19(16)29(40)41)35-28(39)24-13-23(34-26-21(30)15-33-37(24)26)27(38)32-14-17-6-7-31-25(12-17)36-8-10-42-11-9-36/h2-3,6-7,12-13,15,22H,4-5,8-11,14H2,1H3,(H,32,38)(H,35,39)(H,40,41)/t22-/m0/s1
InChIKeyICGUHFOJTIZFJL-QFIPXVFZSA-N
MW573.59 g/mol
LogP2.45
Rot. Bonds7

About (1S)-1-[[3-fluoro-5-[(2-morpholin-4-yl-4-pyridinyl)methylcarbamoyl]pyrazolo[1,5-a]pyrimidine-7-carbonyl]amino]-4-methyl-2,3-dihydro-1H-indene-5-carboxylic acid

(1S)-1-[[3-fluoro-5-[(2-morpholin-4-yl-4-pyridinyl)methylcarbamoyl]pyrazolo[1,5-a]pyrimidine-7-carbonyl]amino]-4-methyl-2,3-dihydro-1H-indene-5-carboxylic acid (PubChem CID 59460941) has the molecular formula C29H28FN7O5 and a molecular weight of 573.59 g/mol. Its IUPAC name is (1S)-1-[[3-fluoro-5-[(2-morpholin-4-yl-4-pyridinyl)methylcarbamoyl]pyrazolo[1,5-a]pyrimidine-7-carbonyl]amino]-4-methyl-2,3-dihydro-1H-indene-5-carboxylic acid.

Molecular Properties

Compound Name(1S)-1-[[3-fluoro-5-[(2-morpholin-4-yl-4-pyridinyl)methylcarbamoyl]pyrazolo[1,5-a]pyrimidine-7-carbonyl]amino]-4-methyl-2,3-dihydro-1H-indene-5-carboxylic acid
PubChem CID59460941
Molecular FormulaC29H28FN7O5
Molecular Weight573.59 g/mol
Exact Mass573.21
IUPAC Name(1S)-1-[[3-fluoro-5-[(2-morpholin-4-yl-4-pyridinyl)methylcarbamoyl]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)NCc2ccnc(N3CCOCC3)c2)nc2c(F)cnn12
InChIInChI=1S/C29H28FN7O5/c1-16-18-4-5-22(20(18)3-2-19(16)29(40)41)35-28(39)24-13-23(34-26-21(30)15-33-37(24)26)27(38)32-14-17-6-7-31-25(12-17)36-8-10-42-11-9-36/h2-3,6-7,12-13,15,22H,4-5,8-11,14H2,1H3,(H,32,38)(H,35,39)(H,40,41)/t22-/m0/s1
InChIKeyICGUHFOJTIZFJL-QFIPXVFZSA-N
XLogP2.45
TPSA151.05 Ų
H-Bond Donors3
H-Bond Acceptors9
Rotatable Bonds7
Heavy Atoms42
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500573.59
LogP ≤ 52.45
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 109

Analyze (1S)-1-[[3-fluoro-5-[(2-morpholin-4-yl-4-pyridinyl)methylcarbamoyl]pyrazolo[1,5-a]pyrimidine-7-carbonyl]amino]-4-methyl-2,3-dihydro-1H-indene-5-carboxylic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (1S)-1-[[3-fluoro-5-[(2-morpholin-4-yl-4-pyridinyl)methylcarbamoyl]pyrazolo[1,5-a]pyrimidine-7-carbonyl]amino]-4-methyl-2,3-dihydro-1H-indene-5-carboxylic acid?
The IUPAC name of (1S)-1-[[3-fluoro-5-[(2-morpholin-4-yl-4-pyridinyl)methylcarbamoyl]pyrazolo[1,5-a]pyrimidine-7-carbonyl]amino]-4-methyl-2,3-dihydro-1H-indene-5-carboxylic acid (CID 59460941) is (1S)-1-[[3-fluoro-5-[(2-morpholin-4-yl-4-pyridinyl)methylcarbamoyl]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-[[3-fluoro-5-[(2-morpholin-4-yl-4-pyridinyl)methylcarbamoyl]pyrazolo[1,5-a]pyrimidine-7-carbonyl]amino]-4-methyl-2,3-dihydro-1H-indene-5-carboxylic acid?
The canonical SMILES for (1S)-1-[[3-fluoro-5-[(2-morpholin-4-yl-4-pyridinyl)methylcarbamoyl]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)NCc2ccnc(N3CCOCC3)c2)nc2c(F)cnn12.
What is the InChIKey of (1S)-1-[[3-fluoro-5-[(2-morpholin-4-yl-4-pyridinyl)methylcarbamoyl]pyrazolo[1,5-a]pyrimidine-7-carbonyl]amino]-4-methyl-2,3-dihydro-1H-indene-5-carboxylic acid?
The InChIKey is ICGUHFOJTIZFJL-QFIPXVFZSA-N. The full InChI is InChI=1S/C29H28FN7O5/c1-16-18-4-5-22(20(18)3-2-19(16)29(40)41)35-28(39)24-13-23(34-26-21(30)15-33-37(24)26)27(38)32-14-17-6-7-31-25(12-17)36-8-10-42-11-9-36/h2-3,6-7,12-13,15,22H,4-5,8-11,14H2,1H3,(H,32,38)(H,35,39)(H,40,41)/t22-/m0/s1.
What are the key properties of (1S)-1-[[3-fluoro-5-[(2-morpholin-4-yl-4-pyridinyl)methylcarbamoyl]pyrazolo[1,5-a]pyrimidine-7-carbonyl]amino]-4-methyl-2,3-dihydro-1H-indene-5-carboxylic acid?
(1S)-1-[[3-fluoro-5-[(2-morpholin-4-yl-4-pyridinyl)methylcarbamoyl]pyrazolo[1,5-a]pyrimidine-7-carbonyl]amino]-4-methyl-2,3-dihydro-1H-indene-5-carboxylic acid has a molecular weight of 573.59 g/mol, XLogP of 2.45, 7 rotatable bonds, 3 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-1-[[3-fluoro-5-[(2-morpholin-4-yl-4-pyridinyl)methylcarbamoyl]pyrazolo[1,5-a]pyrimidine-7-carbonyl]amino]-4-methyl-2,3-dihydro-1H-indene-5-carboxylic acid is sourced from PubChem (CID 59460941), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).