N-(2-oxo-4-piperidin-4-yl-1H-pyrimido[1,2-b]indazol-10-yl)pyridine-4-carboxamide

C21H20N6O2 — CID 137066471

IUPACN-(2-oxo-4-piperidin-4-yl-1H-pyrimido[1,2-b]indazol-10-yl)pyridine-4-carboxamide
SMILESO=C(Nc1cccc2nn3c(C4CCNCC4)cc(=O)[nH]c3c12)c1ccncc1
InChIInChI=1S/C21H20N6O2/c28-18-12-17(13-4-8-22-9-5-13)27-20(25-18)19-15(2-1-3-16(19)26-27)24-21(29)14-6-10-23-11-7-14/h1-3,6-7,10-13,22H,4-5,8-9H2,(H,24,29)(H,25,28)
InChIKeyACXQMFNLCHKLBB-UHFFFAOYSA-N
MW388.43 g/mol
LogP2.29
Rot. Bonds3

About N-(2-oxo-4-piperidin-4-yl-1H-pyrimido[1,2-b]indazol-10-yl)pyridine-4-carboxamide

N-(2-oxo-4-piperidin-4-yl-1H-pyrimido[1,2-b]indazol-10-yl)pyridine-4-carboxamide (PubChem CID 137066471) has the molecular formula C21H20N6O2 and a molecular weight of 388.43 g/mol. Its IUPAC name is N-(2-oxo-4-piperidin-4-yl-1H-pyrimido[1,2-b]indazol-10-yl)pyridine-4-carboxamide.

Molecular Properties

Compound NameN-(2-oxo-4-piperidin-4-yl-1H-pyrimido[1,2-b]indazol-10-yl)pyridine-4-carboxamide
PubChem CID137066471
Molecular FormulaC21H20N6O2
Molecular Weight388.43 g/mol
Exact Mass388.16
IUPAC NameN-(2-oxo-4-piperidin-4-yl-1H-pyrimido[1,2-b]indazol-10-yl)pyridine-4-carboxamide
SMILESO=C(Nc1cccc2nn3c(C4CCNCC4)cc(=O)[nH]c3c12)c1ccncc1
InChIInChI=1S/C21H20N6O2/c28-18-12-17(13-4-8-22-9-5-13)27-20(25-18)19-15(2-1-3-16(19)26-27)24-21(29)14-6-10-23-11-7-14/h1-3,6-7,10-13,22H,4-5,8-9H2,(H,24,29)(H,25,28)
InChIKeyACXQMFNLCHKLBB-UHFFFAOYSA-N
XLogP2.29
TPSA104.18 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.43
LogP ≤ 52.29
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

N-(2-oxo-4-piperidin-4-yl-1H-pyrimido[1,2-b]indazol-10-yl)benzamide
CID 137066399
3-chloro-N-(2-oxo-4-piperidin-4-yl-1H-pyrimido[1,2-b]indazol-10-yl)benzamide
CID 137066475
(2-oxo-4-piperidin-4-yl-1H-pyrimido[1,2-b]indazol-10-yl)urea
CID 137053939
3-nitro-N-(2-oxo-4-piperidin-4-yl-1H-pyrimido[1,2-b]indazol-10-yl)benzamide;hydrochloride
CID 137053871
2,2-dimethyl-N-(2-oxo-4-piperidin-4-yl-1H-pyrimido[1,2-b]indazol-10-yl)propanamide
CID 137066368
2-methyl-N-(2-oxo-4-piperidin-4-yl-1H-pyrimido[1,2-b]indazol-10-yl)propanamide
CID 137053875
6-methoxy-N-(2-oxo-4-piperidin-4-yl-1H-pyrimido[1,2-b]indazol-10-yl)pyridine-3-carboxamide
CID 137066459
3-fluoro-N-(2-oxo-4-piperidin-4-yl-1H-pyrimido[1,2-b]indazol-10-yl)-4-(trifluoromethyl)benzamide
CID 137066485
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
1-[3-(dimethylamino)propyl]-3-(2-oxo-4-piperidin-4-yl-1H-pyrimido[1,2-b]indazol-10-yl)urea
CID 137066414

Frequently Asked Questions

What is the IUPAC name of N-(2-oxo-4-piperidin-4-yl-1H-pyrimido[1,2-b]indazol-10-yl)pyridine-4-carboxamide?
The IUPAC name of N-(2-oxo-4-piperidin-4-yl-1H-pyrimido[1,2-b]indazol-10-yl)pyridine-4-carboxamide (CID 137066471) is N-(2-oxo-4-piperidin-4-yl-1H-pyrimido[1,2-b]indazol-10-yl)pyridine-4-carboxamide.
What is the SMILES notation for N-(2-oxo-4-piperidin-4-yl-1H-pyrimido[1,2-b]indazol-10-yl)pyridine-4-carboxamide?
The canonical SMILES for N-(2-oxo-4-piperidin-4-yl-1H-pyrimido[1,2-b]indazol-10-yl)pyridine-4-carboxamide is O=C(Nc1cccc2nn3c(C4CCNCC4)cc(=O)[nH]c3c12)c1ccncc1.
What is the InChIKey of N-(2-oxo-4-piperidin-4-yl-1H-pyrimido[1,2-b]indazol-10-yl)pyridine-4-carboxamide?
The InChIKey is ACXQMFNLCHKLBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20N6O2/c28-18-12-17(13-4-8-22-9-5-13)27-20(25-18)19-15(2-1-3-16(19)26-27)24-21(29)14-6-10-23-11-7-14/h1-3,6-7,10-13,22H,4-5,8-9H2,(H,24,29)(H,25,28).
What are the key properties of N-(2-oxo-4-piperidin-4-yl-1H-pyrimido[1,2-b]indazol-10-yl)pyridine-4-carboxamide?
N-(2-oxo-4-piperidin-4-yl-1H-pyrimido[1,2-b]indazol-10-yl)pyridine-4-carboxamide has a molecular weight of 388.43 g/mol, XLogP of 2.29, 3 rotatable bonds, 3 hydrogen bond donors, and 6 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)pyridine-4-carboxamide is sourced from PubChem (CID 137066471), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).