3-chloro-N-(2-oxo-4-piperidin-4-yl-1H-pyrimido[1,2-b]indazol-10-yl)benzamide

C22H20ClN5O2 — CID 137066475

IUPAC3-chloro-N-(2-oxo-4-piperidin-4-yl-1H-pyrimido[1,2-b]indazol-10-yl)benzamide
SMILESO=C(Nc1cccc2nn3c(C4CCNCC4)cc(=O)[nH]c3c12)c1cccc(Cl)c1
InChIInChI=1S/C22H20ClN5O2/c23-15-4-1-3-14(11-15)22(30)25-16-5-2-6-17-20(16)21-26-19(29)12-18(28(21)27-17)13-7-9-24-10-8-13/h1-6,11-13,24H,7-10H2,(H,25,30)(H,26,29)
InChIKeyJNJRWPINZUIKMS-UHFFFAOYSA-N
MW421.89 g/mol
LogP3.55
Rot. Bonds3

About 3-chloro-N-(2-oxo-4-piperidin-4-yl-1H-pyrimido[1,2-b]indazol-10-yl)benzamide

3-chloro-N-(2-oxo-4-piperidin-4-yl-1H-pyrimido[1,2-b]indazol-10-yl)benzamide (PubChem CID 137066475) has the molecular formula C22H20ClN5O2 and a molecular weight of 421.89 g/mol. Its IUPAC name is 3-chloro-N-(2-oxo-4-piperidin-4-yl-1H-pyrimido[1,2-b]indazol-10-yl)benzamide.

Molecular Properties

Compound Name3-chloro-N-(2-oxo-4-piperidin-4-yl-1H-pyrimido[1,2-b]indazol-10-yl)benzamide
PubChem CID137066475
Molecular FormulaC22H20ClN5O2
Molecular Weight421.89 g/mol
Exact Mass421.13
IUPAC Name3-chloro-N-(2-oxo-4-piperidin-4-yl-1H-pyrimido[1,2-b]indazol-10-yl)benzamide
SMILESO=C(Nc1cccc2nn3c(C4CCNCC4)cc(=O)[nH]c3c12)c1cccc(Cl)c1
InChIInChI=1S/C22H20ClN5O2/c23-15-4-1-3-14(11-15)22(30)25-16-5-2-6-17-20(16)21-26-19(29)12-18(28(21)27-17)13-7-9-24-10-8-13/h1-6,11-13,24H,7-10H2,(H,25,30)(H,26,29)
InChIKeyJNJRWPINZUIKMS-UHFFFAOYSA-N
XLogP3.55
TPSA91.29 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500421.89
LogP ≤ 53.55
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze 3-chloro-N-(2-oxo-4-piperidin-4-yl-1H-pyrimido[1,2-b]indazol-10-yl)benzamide with MolForge

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Launch Full Analysis

Related Compounds

N-(2-oxo-4-piperidin-4-yl-1H-pyrimido[1,2-b]indazol-10-yl)benzamide
CID 137066399
N-(2-oxo-4-piperidin-4-yl-1H-pyrimido[1,2-b]indazol-10-yl)pyridine-4-carboxamide
CID 137066471
3-nitro-N-(2-oxo-4-piperidin-4-yl-1H-pyrimido[1,2-b]indazol-10-yl)benzamide;hydrochloride
CID 137053871
3-fluoro-N-(2-oxo-4-piperidin-4-yl-1H-pyrimido[1,2-b]indazol-10-yl)-4-(trifluoromethyl)benzamide
CID 137066485
(2-oxo-4-piperidin-4-yl-1H-pyrimido[1,2-b]indazol-10-yl)urea
CID 137053939
2-methyl-N-(2-oxo-4-piperidin-4-yl-1H-pyrimido[1,2-b]indazol-10-yl)propanamide
CID 137053875
N-(2-oxo-4-piperidin-4-yl-1H-pyrimido[1,2-b]indazol-10-yl)propanamide
CID 137066358
2,2-dimethyl-N-(2-oxo-4-piperidin-4-yl-1H-pyrimido[1,2-b]indazol-10-yl)propanamide
CID 137066368
6-methoxy-N-(2-oxo-4-piperidin-4-yl-1H-pyrimido[1,2-b]indazol-10-yl)pyridine-3-carboxamide
CID 137066459
N-(2-oxo-4-piperidin-4-yl-1H-pyrimido[1,2-b]indazol-10-yl)cyclopentanecarboxamide;hydrochloride
CID 137053824
N-(2-oxo-4-piperidin-4-yl-1H-pyrimido[1,2-b]indazol-10-yl)butanamide
CID 137066480
1-(furan-2-ylmethyl)-3-(2-oxo-4-piperidin-4-yl-1H-pyrimido[1,2-b]indazol-10-yl)urea
CID 137066487

Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-(2-oxo-4-piperidin-4-yl-1H-pyrimido[1,2-b]indazol-10-yl)benzamide?
The IUPAC name of 3-chloro-N-(2-oxo-4-piperidin-4-yl-1H-pyrimido[1,2-b]indazol-10-yl)benzamide (CID 137066475) is 3-chloro-N-(2-oxo-4-piperidin-4-yl-1H-pyrimido[1,2-b]indazol-10-yl)benzamide.
What is the SMILES notation for 3-chloro-N-(2-oxo-4-piperidin-4-yl-1H-pyrimido[1,2-b]indazol-10-yl)benzamide?
The canonical SMILES for 3-chloro-N-(2-oxo-4-piperidin-4-yl-1H-pyrimido[1,2-b]indazol-10-yl)benzamide is O=C(Nc1cccc2nn3c(C4CCNCC4)cc(=O)[nH]c3c12)c1cccc(Cl)c1.
What is the InChIKey of 3-chloro-N-(2-oxo-4-piperidin-4-yl-1H-pyrimido[1,2-b]indazol-10-yl)benzamide?
The InChIKey is JNJRWPINZUIKMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20ClN5O2/c23-15-4-1-3-14(11-15)22(30)25-16-5-2-6-17-20(16)21-26-19(29)12-18(28(21)27-17)13-7-9-24-10-8-13/h1-6,11-13,24H,7-10H2,(H,25,30)(H,26,29).
What are the key properties of 3-chloro-N-(2-oxo-4-piperidin-4-yl-1H-pyrimido[1,2-b]indazol-10-yl)benzamide?
3-chloro-N-(2-oxo-4-piperidin-4-yl-1H-pyrimido[1,2-b]indazol-10-yl)benzamide has a molecular weight of 421.89 g/mol, XLogP of 3.55, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-(2-oxo-4-piperidin-4-yl-1H-pyrimido[1,2-b]indazol-10-yl)benzamide is sourced from PubChem (CID 137066475), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).