N-(2-oxo-4-piperidin-4-yl-1H-pyrimido[1,2-b]indazol-10-yl)cyclopentanecarboxamide;hydrochloride

C21H26ClN5O2 — CID 137053824

IUPACN-(2-oxo-4-piperidin-4-yl-1H-pyrimido[1,2-b]indazol-10-yl)cyclopentanecarboxamide;hydrochloride
SMILESCl.O=C(Nc1cccc2nn3c(C4CCNCC4)cc(=O)[nH]c3c12)C1CCCC1
InChIInChI=1S/C21H25N5O2.ClH/c27-18-12-17(13-8-10-22-11-9-13)26-20(24-18)19-15(6-3-7-16(19)25-26)23-21(28)14-4-1-2-5-14;/h3,6-7,12-14,22H,1-2,4-5,8-11H2,(H,23,28)(H,24,27);1H
InChIKeyXPTXNEWOWFQQIK-UHFFFAOYSA-N
MW415.93 g/mol
LogP3.19
Rot. Bonds3

About N-(2-oxo-4-piperidin-4-yl-1H-pyrimido[1,2-b]indazol-10-yl)cyclopentanecarboxamide;hydrochloride

N-(2-oxo-4-piperidin-4-yl-1H-pyrimido[1,2-b]indazol-10-yl)cyclopentanecarboxamide;hydrochloride (PubChem CID 137053824) has the molecular formula C21H26ClN5O2 and a molecular weight of 415.93 g/mol. Its IUPAC name is N-(2-oxo-4-piperidin-4-yl-1H-pyrimido[1,2-b]indazol-10-yl)cyclopentanecarboxamide;hydrochloride.

Molecular Properties

Compound NameN-(2-oxo-4-piperidin-4-yl-1H-pyrimido[1,2-b]indazol-10-yl)cyclopentanecarboxamide;hydrochloride
PubChem CID137053824
Molecular FormulaC21H26ClN5O2
Molecular Weight415.93 g/mol
Exact Mass415.18
IUPAC NameN-(2-oxo-4-piperidin-4-yl-1H-pyrimido[1,2-b]indazol-10-yl)cyclopentanecarboxamide;hydrochloride
SMILESCl.O=C(Nc1cccc2nn3c(C4CCNCC4)cc(=O)[nH]c3c12)C1CCCC1
InChIInChI=1S/C21H25N5O2.ClH/c27-18-12-17(13-8-10-22-11-9-13)26-20(24-18)19-15(6-3-7-16(19)25-26)23-21(28)14-4-1-2-5-14;/h3,6-7,12-14,22H,1-2,4-5,8-11H2,(H,23,28)(H,24,27);1H
InChIKeyXPTXNEWOWFQQIK-UHFFFAOYSA-N
XLogP3.19
TPSA91.29 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.93
LogP ≤ 53.19
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze N-(2-oxo-4-piperidin-4-yl-1H-pyrimido[1,2-b]indazol-10-yl)cyclopentanecarboxamide;hydrochloride with MolForge

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Related Compounds

(2-oxo-4-piperidin-4-yl-1H-pyrimido[1,2-b]indazol-10-yl)urea
CID 137053939
2,2-dimethyl-N-(2-oxo-4-piperidin-4-yl-1H-pyrimido[1,2-b]indazol-10-yl)propanamide
CID 137066368
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)propanamide
CID 137066358
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)butanamide
CID 137066480
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-chloro-N-(2-oxo-4-piperidin-4-yl-1H-pyrimido[1,2-b]indazol-10-yl)benzamide
CID 137066475
N-cyclohexyl-2-oxo-4-piperidin-4-yl-1H-pyrimido[1,2-b]indazole-10-carboxamide
CID 137053783
1-[3-(dimethylamino)propyl]-3-(2-oxo-4-piperidin-4-yl-1H-pyrimido[1,2-b]indazol-10-yl)urea
CID 137066414
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 N-(2-oxo-4-piperidin-4-yl-1H-pyrimido[1,2-b]indazol-10-yl)cyclopentanecarboxamide;hydrochloride?
The IUPAC name of N-(2-oxo-4-piperidin-4-yl-1H-pyrimido[1,2-b]indazol-10-yl)cyclopentanecarboxamide;hydrochloride (CID 137053824) is N-(2-oxo-4-piperidin-4-yl-1H-pyrimido[1,2-b]indazol-10-yl)cyclopentanecarboxamide;hydrochloride.
What is the SMILES notation for N-(2-oxo-4-piperidin-4-yl-1H-pyrimido[1,2-b]indazol-10-yl)cyclopentanecarboxamide;hydrochloride?
The canonical SMILES for N-(2-oxo-4-piperidin-4-yl-1H-pyrimido[1,2-b]indazol-10-yl)cyclopentanecarboxamide;hydrochloride is Cl.O=C(Nc1cccc2nn3c(C4CCNCC4)cc(=O)[nH]c3c12)C1CCCC1.
What is the InChIKey of N-(2-oxo-4-piperidin-4-yl-1H-pyrimido[1,2-b]indazol-10-yl)cyclopentanecarboxamide;hydrochloride?
The InChIKey is XPTXNEWOWFQQIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25N5O2.ClH/c27-18-12-17(13-8-10-22-11-9-13)26-20(24-18)19-15(6-3-7-16(19)25-26)23-21(28)14-4-1-2-5-14;/h3,6-7,12-14,22H,1-2,4-5,8-11H2,(H,23,28)(H,24,27);1H.
What are the key properties of N-(2-oxo-4-piperidin-4-yl-1H-pyrimido[1,2-b]indazol-10-yl)cyclopentanecarboxamide;hydrochloride?
N-(2-oxo-4-piperidin-4-yl-1H-pyrimido[1,2-b]indazol-10-yl)cyclopentanecarboxamide;hydrochloride has a molecular weight of 415.93 g/mol, XLogP of 3.19, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-oxo-4-piperidin-4-yl-1H-pyrimido[1,2-b]indazol-10-yl)cyclopentanecarboxamide;hydrochloride is sourced from PubChem (CID 137053824), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).