4-(10-chloro-8-methyl-2-oxo-1H-pyrimido[1,2-b]indazol-4-yl)piperidine-1-carboxylic acid

C17H17ClN4O3 — CID 136954064

IUPAC4-(10-chloro-8-methyl-2-oxo-1H-pyrimido[1,2-b]indazol-4-yl)piperidine-1-carboxylic acid
SMILESCc1cc(Cl)c2c(c1)nn1c(C3CCN(C(=O)O)CC3)cc(=O)[nH]c21
InChIInChI=1S/C17H17ClN4O3/c1-9-6-11(18)15-12(7-9)20-22-13(8-14(23)19-16(15)22)10-2-4-21(5-3-10)17(24)25/h6-8,10H,2-5H2,1H3,(H,19,23)(H,24,25)
InChIKeyOFXSWDJQNORWSF-UHFFFAOYSA-N
MW360.80 g/mol
LogP3.00
Rot. Bonds1

About 4-(10-chloro-8-methyl-2-oxo-1H-pyrimido[1,2-b]indazol-4-yl)piperidine-1-carboxylic acid

4-(10-chloro-8-methyl-2-oxo-1H-pyrimido[1,2-b]indazol-4-yl)piperidine-1-carboxylic acid (PubChem CID 136954064) has the molecular formula C17H17ClN4O3 and a molecular weight of 360.80 g/mol. Its IUPAC name is 4-(10-chloro-8-methyl-2-oxo-1H-pyrimido[1,2-b]indazol-4-yl)piperidine-1-carboxylic acid.

Molecular Properties

Compound Name4-(10-chloro-8-methyl-2-oxo-1H-pyrimido[1,2-b]indazol-4-yl)piperidine-1-carboxylic acid
PubChem CID136954064
Molecular FormulaC17H17ClN4O3
Molecular Weight360.80 g/mol
Exact Mass360.10
IUPAC Name4-(10-chloro-8-methyl-2-oxo-1H-pyrimido[1,2-b]indazol-4-yl)piperidine-1-carboxylic acid
SMILESCc1cc(Cl)c2c(c1)nn1c(C3CCN(C(=O)O)CC3)cc(=O)[nH]c21
InChIInChI=1S/C17H17ClN4O3/c1-9-6-11(18)15-12(7-9)20-22-13(8-14(23)19-16(15)22)10-2-4-21(5-3-10)17(24)25/h6-8,10H,2-5H2,1H3,(H,19,23)(H,24,25)
InChIKeyOFXSWDJQNORWSF-UHFFFAOYSA-N
XLogP3.00
TPSA90.70 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.80
LogP ≤ 53.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 4-(10-chloro-8-methyl-2-oxo-1H-pyrimido[1,2-b]indazol-4-yl)piperidine-1-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

Related Compounds

4-(10-ethoxy-2-oxo-1H-pyrimido[1,2-b]indazol-4-yl)piperidine-1-carboxylic acid
CID 136954027
4-(2-oxo-10-pyridin-2-yl-1H-pyrimido[1,2-b]indazol-4-yl)piperidine-1-carboxylic acid
CID 141446586
4-[10-(2-ethoxyphenyl)-2-oxo-1H-pyrimido[1,2-b]indazol-4-yl]piperidine-1-carboxylic acid
CID 136954043
4-(1-acetylpiperidin-4-yl)-10-(2-methylphenyl)-1H-pyrimido[1,2-b]indazol-2-one
CID 136954169
4-[[4-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]-2-oxo-1H-pyrimido[1,2-b]indazol-10-yl]carbamoyl]piperazine-1-carboxylic acid
CID 137054001
4-[10-[3-(dimethylamino)propylcarbamoylamino]-2-oxo-1H-pyrimido[1,2-b]indazol-4-yl]piperidine-1-carboxylic acid;2,2,2-trifluoroacetic acid
CID 137053961
4-[3-(cyclopropanecarbonyl)-5-oxo-4H-pyrazolo[1,5-a]pyrimidin-7-yl]piperidine-1-carboxylic acid
CID 137026059
4-(10-ethoxy-2-oxo-1H-pyrimido[1,2-b]indazol-4-yl)-2-methylpiperidine-1-carboxylic acid
CID 136954066
tert-butyl 4-(7,9-dichloro-2-oxo-1H-pyrimido[1,2-b]indazol-4-yl)piperidine-1-carboxylate
CID 136962864
10-chloro-9-methyl-4-piperidin-4-yl-1H-pyrimido[1,2-b]indazol-2-one
CID 136962693
tert-butyl 4-(2-oxo-1H-pyrimido[1,2-b]indazol-4-yl)piperidine-1-carboxylate
CID 136962861
4-[3-(3-fluorophenyl)-5-oxo-4H-pyrazolo[1,5-a]pyrimidin-7-yl]piperidine-1-carboxylic acid
CID 137025779

Frequently Asked Questions

What is the IUPAC name of 4-(10-chloro-8-methyl-2-oxo-1H-pyrimido[1,2-b]indazol-4-yl)piperidine-1-carboxylic acid?
The IUPAC name of 4-(10-chloro-8-methyl-2-oxo-1H-pyrimido[1,2-b]indazol-4-yl)piperidine-1-carboxylic acid (CID 136954064) is 4-(10-chloro-8-methyl-2-oxo-1H-pyrimido[1,2-b]indazol-4-yl)piperidine-1-carboxylic acid.
What is the SMILES notation for 4-(10-chloro-8-methyl-2-oxo-1H-pyrimido[1,2-b]indazol-4-yl)piperidine-1-carboxylic acid?
The canonical SMILES for 4-(10-chloro-8-methyl-2-oxo-1H-pyrimido[1,2-b]indazol-4-yl)piperidine-1-carboxylic acid is Cc1cc(Cl)c2c(c1)nn1c(C3CCN(C(=O)O)CC3)cc(=O)[nH]c21.
What is the InChIKey of 4-(10-chloro-8-methyl-2-oxo-1H-pyrimido[1,2-b]indazol-4-yl)piperidine-1-carboxylic acid?
The InChIKey is OFXSWDJQNORWSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17ClN4O3/c1-9-6-11(18)15-12(7-9)20-22-13(8-14(23)19-16(15)22)10-2-4-21(5-3-10)17(24)25/h6-8,10H,2-5H2,1H3,(H,19,23)(H,24,25).
What are the key properties of 4-(10-chloro-8-methyl-2-oxo-1H-pyrimido[1,2-b]indazol-4-yl)piperidine-1-carboxylic acid?
4-(10-chloro-8-methyl-2-oxo-1H-pyrimido[1,2-b]indazol-4-yl)piperidine-1-carboxylic acid has a molecular weight of 360.80 g/mol, XLogP of 3.00, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(10-chloro-8-methyl-2-oxo-1H-pyrimido[1,2-b]indazol-4-yl)piperidine-1-carboxylic acid is sourced from PubChem (CID 136954064), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).