2-amino-6-chloro-N-[4-(oxan-3-yloxy)-3-pyridinyl]-1,2,3,3a,4,5,6,7-octahydropyrazolo[1,5-a]pyrimidine-3-carboxamide

C17H25ClN6O3 — CID 90212124

IUPAC2-amino-6-chloro-N-[4-(oxan-3-yloxy)-3-pyridinyl]-1,2,3,3a,4,5,6,7-octahydropyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESNC1NN2CC(Cl)CNC2C1C(=O)Nc1cnccc1OC1CCCOC1
InChIInChI=1S/C17H25ClN6O3/c18-10-6-21-16-14(15(19)23-24(16)8-10)17(25)22-12-7-20-4-3-13(12)27-11-2-1-5-26-9-11/h3-4,7,10-11,14-16,21,23H,1-2,5-6,8-9,19H2,(H,22,25)
InChIKeyXLTUBDCMYDLWRS-UHFFFAOYSA-N
MW396.88 g/mol
LogP-0.16
Rot. Bonds4

About 2-amino-6-chloro-N-[4-(oxan-3-yloxy)-3-pyridinyl]-1,2,3,3a,4,5,6,7-octahydropyrazolo[1,5-a]pyrimidine-3-carboxamide

2-amino-6-chloro-N-[4-(oxan-3-yloxy)-3-pyridinyl]-1,2,3,3a,4,5,6,7-octahydropyrazolo[1,5-a]pyrimidine-3-carboxamide (PubChem CID 90212124) has the molecular formula C17H25ClN6O3 and a molecular weight of 396.88 g/mol. Its IUPAC name is 2-amino-6-chloro-N-[4-(oxan-3-yloxy)-3-pyridinyl]-1,2,3,3a,4,5,6,7-octahydropyrazolo[1,5-a]pyrimidine-3-carboxamide.

Molecular Properties

Compound Name2-amino-6-chloro-N-[4-(oxan-3-yloxy)-3-pyridinyl]-1,2,3,3a,4,5,6,7-octahydropyrazolo[1,5-a]pyrimidine-3-carboxamide
PubChem CID90212124
Molecular FormulaC17H25ClN6O3
Molecular Weight396.88 g/mol
Exact Mass396.17
IUPAC Name2-amino-6-chloro-N-[4-(oxan-3-yloxy)-3-pyridinyl]-1,2,3,3a,4,5,6,7-octahydropyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESNC1NN2CC(Cl)CNC2C1C(=O)Nc1cnccc1OC1CCCOC1
InChIInChI=1S/C17H25ClN6O3/c18-10-6-21-16-14(15(19)23-24(16)8-10)17(25)22-12-7-20-4-3-13(12)27-11-2-1-5-26-9-11/h3-4,7,10-11,14-16,21,23H,1-2,5-6,8-9,19H2,(H,22,25)
InChIKeyXLTUBDCMYDLWRS-UHFFFAOYSA-N
XLogP-0.16
TPSA113.77 Ų
H-Bond Donors4
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.88
LogP ≤ 5-0.16
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

2-amino-6-fluoro-N-[4-(4-oxo-1,3,6,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-2-yl)-3-pyridinyl]-1,2,3,3a,4,5,6,7-octahydropyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 130292616
2-amino-6-chloro-N-[4-[(3R)-oxolan-3-yl]oxypiperidin-3-yl]-1,2,3,3a,4,5,6,7-octahydropyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 134577718
2-amino-6-fluoro-N-[4-(2-oxo-1H-pyridin-3-yl)-3-pyridinyl]-1,2,3,3a,4,5,6,7-octahydropyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 130279942
2-amino-6-fluoro-N-[4-[4-(4-methylpiperazine-1-carbonyl)piperidin-1-yl]-3-pyridinyl]-1,2,3,3a,4,5,6,7-octahydropyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 130280104
2-amino-N-[4-(oxan-3-yloxy)-3-pyridinyl]-5-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 86304793
N-(4-chloro-3-pyridinyl)oxane-3-carboxamide
CID 103745000
2-amino-6-(cyanomethyl)-N-(4-methoxy-3-pyridinyl)-4-methyl-2,3,3a,5,6,7-hexahydro-1H-pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 90382479
2-amino-6-fluoro-N-[5-fluoro-4-(6-oxo-1,3,4,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-2-yl)-3-pyridinyl]-1,2,3,3a,4,5,6,7-octahydropyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 130280136
2-amino-N-[4-[4-(azetidine-3-carbonyl)piperazin-1-yl]-5-fluoro-3-pyridinyl]-6-fluoro-1,2,3,3a,4,5,6,7-octahydropyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 130280280
3-hydrazinyl-N-(oxan-3-yl)pyridine-4-carboxamide
CID 105072165
N-methyl-1-[4-(oxolan-3-yloxy)-3-pyridinyl]methanamine
CID 81251241
N-[4-(azepan-3-yloxy)-3-pyridinyl]-2-(2,6-difluorophenyl)-1,3-thiazole-4-carboxamide
CID 71262741

Frequently Asked Questions

What is the IUPAC name of 2-amino-6-chloro-N-[4-(oxan-3-yloxy)-3-pyridinyl]-1,2,3,3a,4,5,6,7-octahydropyrazolo[1,5-a]pyrimidine-3-carboxamide?
The IUPAC name of 2-amino-6-chloro-N-[4-(oxan-3-yloxy)-3-pyridinyl]-1,2,3,3a,4,5,6,7-octahydropyrazolo[1,5-a]pyrimidine-3-carboxamide (CID 90212124) is 2-amino-6-chloro-N-[4-(oxan-3-yloxy)-3-pyridinyl]-1,2,3,3a,4,5,6,7-octahydropyrazolo[1,5-a]pyrimidine-3-carboxamide.
What is the SMILES notation for 2-amino-6-chloro-N-[4-(oxan-3-yloxy)-3-pyridinyl]-1,2,3,3a,4,5,6,7-octahydropyrazolo[1,5-a]pyrimidine-3-carboxamide?
The canonical SMILES for 2-amino-6-chloro-N-[4-(oxan-3-yloxy)-3-pyridinyl]-1,2,3,3a,4,5,6,7-octahydropyrazolo[1,5-a]pyrimidine-3-carboxamide is NC1NN2CC(Cl)CNC2C1C(=O)Nc1cnccc1OC1CCCOC1.
What is the InChIKey of 2-amino-6-chloro-N-[4-(oxan-3-yloxy)-3-pyridinyl]-1,2,3,3a,4,5,6,7-octahydropyrazolo[1,5-a]pyrimidine-3-carboxamide?
The InChIKey is XLTUBDCMYDLWRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25ClN6O3/c18-10-6-21-16-14(15(19)23-24(16)8-10)17(25)22-12-7-20-4-3-13(12)27-11-2-1-5-26-9-11/h3-4,7,10-11,14-16,21,23H,1-2,5-6,8-9,19H2,(H,22,25).
What are the key properties of 2-amino-6-chloro-N-[4-(oxan-3-yloxy)-3-pyridinyl]-1,2,3,3a,4,5,6,7-octahydropyrazolo[1,5-a]pyrimidine-3-carboxamide?
2-amino-6-chloro-N-[4-(oxan-3-yloxy)-3-pyridinyl]-1,2,3,3a,4,5,6,7-octahydropyrazolo[1,5-a]pyrimidine-3-carboxamide has a molecular weight of 396.88 g/mol, XLogP of -0.16, 4 rotatable bonds, 4 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-6-chloro-N-[4-(oxan-3-yloxy)-3-pyridinyl]-1,2,3,3a,4,5,6,7-octahydropyrazolo[1,5-a]pyrimidine-3-carboxamide is sourced from PubChem (CID 90212124), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).