4-[[7-amino-3-(6-fluoroquinolin-3-yl)-6-methylpyrazolo[1,5-a]pyrimidin-5-yl]methylamino]cyclohexane-1-carboxylic acid

C24H25FN6O2 — CID 70217308

IUPAC4-[[7-amino-3-(6-fluoroquinolin-3-yl)-6-methylpyrazolo[1,5-a]pyrimidin-5-yl]methylamino]cyclohexane-1-carboxylic acid
SMILESCc1c(CNC2CCC(C(=O)O)CC2)nc2c(-c3cnc4ccc(F)cc4c3)cnn2c1N
InChIInChI=1S/C24H25FN6O2/c1-13-21(12-27-18-5-2-14(3-6-18)24(32)33)30-23-19(11-29-31(23)22(13)26)16-8-15-9-17(25)4-7-20(15)28-10-16/h4,7-11,14,18,27H,2-3,5-6,12,26H2,1H3,(H,32,33)
InChIKeyBRQSKFWPMIVGTD-UHFFFAOYSA-N
MW448.50 g/mol
LogP3.71
Rot. Bonds5

About 4-[[7-amino-3-(6-fluoroquinolin-3-yl)-6-methylpyrazolo[1,5-a]pyrimidin-5-yl]methylamino]cyclohexane-1-carboxylic acid

4-[[7-amino-3-(6-fluoroquinolin-3-yl)-6-methylpyrazolo[1,5-a]pyrimidin-5-yl]methylamino]cyclohexane-1-carboxylic acid (PubChem CID 70217308) has the molecular formula C24H25FN6O2 and a molecular weight of 448.50 g/mol. Its IUPAC name is 4-[[7-amino-3-(6-fluoroquinolin-3-yl)-6-methylpyrazolo[1,5-a]pyrimidin-5-yl]methylamino]cyclohexane-1-carboxylic acid.

Molecular Properties

Compound Name4-[[7-amino-3-(6-fluoroquinolin-3-yl)-6-methylpyrazolo[1,5-a]pyrimidin-5-yl]methylamino]cyclohexane-1-carboxylic acid
PubChem CID70217308
Molecular FormulaC24H25FN6O2
Molecular Weight448.50 g/mol
Exact Mass448.20
IUPAC Name4-[[7-amino-3-(6-fluoroquinolin-3-yl)-6-methylpyrazolo[1,5-a]pyrimidin-5-yl]methylamino]cyclohexane-1-carboxylic acid
SMILESCc1c(CNC2CCC(C(=O)O)CC2)nc2c(-c3cnc4ccc(F)cc4c3)cnn2c1N
InChIInChI=1S/C24H25FN6O2/c1-13-21(12-27-18-5-2-14(3-6-18)24(32)33)30-23-19(11-29-31(23)22(13)26)16-8-15-9-17(25)4-7-20(15)28-10-16/h4,7-11,14,18,27H,2-3,5-6,12,26H2,1H3,(H,32,33)
InChIKeyBRQSKFWPMIVGTD-UHFFFAOYSA-N
XLogP3.71
TPSA118.43 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500448.50
LogP ≤ 53.71
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Analyze 4-[[7-amino-3-(6-fluoroquinolin-3-yl)-6-methylpyrazolo[1,5-a]pyrimidin-5-yl]methylamino]cyclohexane-1-carboxylic acid with MolForge

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Launch Full Analysis

Related Compounds

(2~{S},3~{S})-3-[[5-fluoranyl-2-(5-fluoranyl-1~{H}-pyrazolo[3,4-b]pyridin-3-yl)pyrimidin-4-yl]amino]bicyclo[2.2.2]octane-2-carboxylic acid
CID 57385622
(S)-3-{[3-((E)-2-Piperidin-4-yl-vinyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridine-8-carbonyl]-amino}-3-quinolin-3-yl-propionic acid
CID 20694724
(2R)-2-[[7-cyclohexyl-6-(4-fluorophenyl)pyrazolo[1,5-a]pyrimidine-3-carbonyl]amino]-3-(1H-indol-3-yl)propanoic acid
CID 15958172
(2S)-2-[[7-cyclohexyl-6-(4-fluorophenyl)pyrazolo[1,5-a]pyrimidine-3-carbonyl]amino]-3-(1H-indol-3-yl)propanoic acid
CID 45487861
4-[[8-(2-Propan-2-yl-4-pyridinyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]benzoic acid
CID 59199136
3-fluoro-4-[[8-morpholin-4-yl-2-[(E)-2-quinolin-2-ylethenyl]imidazo[1,2-b]pyridazin-3-yl]amino]benzoic acid
CID 117728428
US10030027, Example 22A
CID 129242619
US10030027, Example 114A
CID 129242650
US10030027, Example 21B
CID 129242977
US10030027, Example 148A
CID 129242994
US10030027, Example 232B
CID 129243336
(2S,3S)-3-[[5-fluoro-2-(5-fluoro-1H-pyrrolo[2,3-b]pyridin-3-yl)quinazolin-4-yl]amino]bicyclo[2.2.2]octane-2-carboxylic acid
CID 155530488

Frequently Asked Questions

What is the IUPAC name of 4-[[7-amino-3-(6-fluoroquinolin-3-yl)-6-methylpyrazolo[1,5-a]pyrimidin-5-yl]methylamino]cyclohexane-1-carboxylic acid?
The IUPAC name of 4-[[7-amino-3-(6-fluoroquinolin-3-yl)-6-methylpyrazolo[1,5-a]pyrimidin-5-yl]methylamino]cyclohexane-1-carboxylic acid (CID 70217308) is 4-[[7-amino-3-(6-fluoroquinolin-3-yl)-6-methylpyrazolo[1,5-a]pyrimidin-5-yl]methylamino]cyclohexane-1-carboxylic acid.
What is the SMILES notation for 4-[[7-amino-3-(6-fluoroquinolin-3-yl)-6-methylpyrazolo[1,5-a]pyrimidin-5-yl]methylamino]cyclohexane-1-carboxylic acid?
The canonical SMILES for 4-[[7-amino-3-(6-fluoroquinolin-3-yl)-6-methylpyrazolo[1,5-a]pyrimidin-5-yl]methylamino]cyclohexane-1-carboxylic acid is Cc1c(CNC2CCC(C(=O)O)CC2)nc2c(-c3cnc4ccc(F)cc4c3)cnn2c1N.
What is the InChIKey of 4-[[7-amino-3-(6-fluoroquinolin-3-yl)-6-methylpyrazolo[1,5-a]pyrimidin-5-yl]methylamino]cyclohexane-1-carboxylic acid?
The InChIKey is BRQSKFWPMIVGTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25FN6O2/c1-13-21(12-27-18-5-2-14(3-6-18)24(32)33)30-23-19(11-29-31(23)22(13)26)16-8-15-9-17(25)4-7-20(15)28-10-16/h4,7-11,14,18,27H,2-3,5-6,12,26H2,1H3,(H,32,33).
What are the key properties of 4-[[7-amino-3-(6-fluoroquinolin-3-yl)-6-methylpyrazolo[1,5-a]pyrimidin-5-yl]methylamino]cyclohexane-1-carboxylic acid?
4-[[7-amino-3-(6-fluoroquinolin-3-yl)-6-methylpyrazolo[1,5-a]pyrimidin-5-yl]methylamino]cyclohexane-1-carboxylic acid has a molecular weight of 448.50 g/mol, XLogP of 3.71, 5 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[7-amino-3-(6-fluoroquinolin-3-yl)-6-methylpyrazolo[1,5-a]pyrimidin-5-yl]methylamino]cyclohexane-1-carboxylic acid is sourced from PubChem (CID 70217308), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).