2-amino-N-[4-[4-(3-ethoxyazetidine-1-carbonyl)piperidin-1-yl]-3-pyridinyl]-6-fluoropyrazolo[1,5-a]pyrimidine-3-carboxamide

C23H27FN8O3 — CID 90200262

IUPAC2-amino-N-[4-[4-(3-ethoxyazetidine-1-carbonyl)piperidin-1-yl]-3-pyridinyl]-6-fluoropyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESCCOC1CN(C(=O)C2CCN(c3ccncc3NC(=O)c3c(N)nn4cc(F)cnc34)CC2)C1
InChIInChI=1S/C23H27FN8O3/c1-2-35-16-12-31(13-16)23(34)14-4-7-30(8-5-14)18-3-6-26-10-17(18)28-22(33)19-20(25)29-32-11-15(24)9-27-21(19)32/h3,6,9-11,14,16H,2,4-5,7-8,12-13H2,1H3,(H2,25,29)(H,28,33)
InChIKeyCERQKUUVANZBCO-UHFFFAOYSA-N
MW482.52 g/mol
LogP1.56
Rot. Bonds6

About 2-amino-N-[4-[4-(3-ethoxyazetidine-1-carbonyl)piperidin-1-yl]-3-pyridinyl]-6-fluoropyrazolo[1,5-a]pyrimidine-3-carboxamide

2-amino-N-[4-[4-(3-ethoxyazetidine-1-carbonyl)piperidin-1-yl]-3-pyridinyl]-6-fluoropyrazolo[1,5-a]pyrimidine-3-carboxamide (PubChem CID 90200262) has the molecular formula C23H27FN8O3 and a molecular weight of 482.52 g/mol. Its IUPAC name is 2-amino-N-[4-[4-(3-ethoxyazetidine-1-carbonyl)piperidin-1-yl]-3-pyridinyl]-6-fluoropyrazolo[1,5-a]pyrimidine-3-carboxamide.

Molecular Properties

Compound Name2-amino-N-[4-[4-(3-ethoxyazetidine-1-carbonyl)piperidin-1-yl]-3-pyridinyl]-6-fluoropyrazolo[1,5-a]pyrimidine-3-carboxamide
PubChem CID90200262
Molecular FormulaC23H27FN8O3
Molecular Weight482.52 g/mol
Exact Mass482.22
IUPAC Name2-amino-N-[4-[4-(3-ethoxyazetidine-1-carbonyl)piperidin-1-yl]-3-pyridinyl]-6-fluoropyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESCCOC1CN(C(=O)C2CCN(c3ccncc3NC(=O)c3c(N)nn4cc(F)cnc34)CC2)C1
InChIInChI=1S/C23H27FN8O3/c1-2-35-16-12-31(13-16)23(34)14-4-7-30(8-5-14)18-3-6-26-10-17(18)28-22(33)19-20(25)29-32-11-15(24)9-27-21(19)32/h3,6,9-11,14,16H,2,4-5,7-8,12-13H2,1H3,(H2,25,29)(H,28,33)
InChIKeyCERQKUUVANZBCO-UHFFFAOYSA-N
XLogP1.56
TPSA130.98 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500482.52
LogP ≤ 51.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

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Related Compounds

N-[(1R,2R)-2-methoxycyclobutyl]-7-(methylamino)-5-[(2-oxo[1(2H),2'-bipyridin]-3-yl)amino]-pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 137441492
Gartisertib
CID 86720912
GSK-3|A inhibitor 13
CID 134551592
4-(3-fluoro-azetidine-1-carbonyl)-2-methyl-2H-pyrazole-3-carboxylic acid (2-morpholin-4-yl-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-amide
CID 57377956
4-N,2-dimethyl-3-N-(2-morpholin-4-yl-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-4-N-(2,2,2-trifluoroethyl)pyrazole-3,4-dicarboxamide
CID 57378176
N-[2-[2-fluoroethyl(methyl)amino]-[1,2,4]triazolo[1,5-a]pyridin-7-yl]-1-methyl-4-(morpholine-4-carbonyl)pyrazole-5-carboxamide
CID 57378392
4-(3-methoxy-azetidine-1-carbonyl)-2-methyl-2H-pyrazole-3-carboxylic acid [2-(3-fluoro-phenyl)-[1,2,4]triazolo[1,5-a]pyridin-7-yl]-amide
CID 67775470
4-(azetidine-1-carbonyl)-2-methyl-2H-pyrazole-3-carboxylic acid [2-(2-fluoro-pyridin-4-yl)-[1,2,4]triazolo[1,5-a]pyridin-7-yl]-amide
CID 67776659
4-(azetidine-1-carbonyl)-1-methyl-N-(2-morpholin-4-yl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)pyrazole-5-carboxamide
CID 71538147
4-(3-Fluoro-azetidine-1-carbonyl)-2-methyl-2H-pyrazole-3-carboxylic acid (2-dimethylamino-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-amide
CID 71538685
2-Methyl-4-(morpholine-4-carbonyl)-2H-pyrazole-3-carboxylic acid (2-diethylamino-[1,2,4]triazolo [1,5-a]pyridin-6-yl)-amide
CID 71538688
1-(2-ethoxyethyl)-N-methyl-7-[(4-methyl-2-pyridinyl)amino]-5-piperazin-1-ylpyrazolo[4,5-d]pyrimidine-3-carboxamide
CID 11775013

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[4-[4-(3-ethoxyazetidine-1-carbonyl)piperidin-1-yl]-3-pyridinyl]-6-fluoropyrazolo[1,5-a]pyrimidine-3-carboxamide?
The IUPAC name of 2-amino-N-[4-[4-(3-ethoxyazetidine-1-carbonyl)piperidin-1-yl]-3-pyridinyl]-6-fluoropyrazolo[1,5-a]pyrimidine-3-carboxamide (CID 90200262) is 2-amino-N-[4-[4-(3-ethoxyazetidine-1-carbonyl)piperidin-1-yl]-3-pyridinyl]-6-fluoropyrazolo[1,5-a]pyrimidine-3-carboxamide.
What is the SMILES notation for 2-amino-N-[4-[4-(3-ethoxyazetidine-1-carbonyl)piperidin-1-yl]-3-pyridinyl]-6-fluoropyrazolo[1,5-a]pyrimidine-3-carboxamide?
The canonical SMILES for 2-amino-N-[4-[4-(3-ethoxyazetidine-1-carbonyl)piperidin-1-yl]-3-pyridinyl]-6-fluoropyrazolo[1,5-a]pyrimidine-3-carboxamide is CCOC1CN(C(=O)C2CCN(c3ccncc3NC(=O)c3c(N)nn4cc(F)cnc34)CC2)C1.
What is the InChIKey of 2-amino-N-[4-[4-(3-ethoxyazetidine-1-carbonyl)piperidin-1-yl]-3-pyridinyl]-6-fluoropyrazolo[1,5-a]pyrimidine-3-carboxamide?
The InChIKey is CERQKUUVANZBCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27FN8O3/c1-2-35-16-12-31(13-16)23(34)14-4-7-30(8-5-14)18-3-6-26-10-17(18)28-22(33)19-20(25)29-32-11-15(24)9-27-21(19)32/h3,6,9-11,14,16H,2,4-5,7-8,12-13H2,1H3,(H2,25,29)(H,28,33).
What are the key properties of 2-amino-N-[4-[4-(3-ethoxyazetidine-1-carbonyl)piperidin-1-yl]-3-pyridinyl]-6-fluoropyrazolo[1,5-a]pyrimidine-3-carboxamide?
2-amino-N-[4-[4-(3-ethoxyazetidine-1-carbonyl)piperidin-1-yl]-3-pyridinyl]-6-fluoropyrazolo[1,5-a]pyrimidine-3-carboxamide has a molecular weight of 482.52 g/mol, XLogP of 1.56, 6 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[4-[4-(3-ethoxyazetidine-1-carbonyl)piperidin-1-yl]-3-pyridinyl]-6-fluoropyrazolo[1,5-a]pyrimidine-3-carboxamide is sourced from PubChem (CID 90200262), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).