2-amino-6-fluoro-N-[5-fluoro-4-[4-(hydroxymethyl)piperidin-1-yl]-3-pyridinyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide

C18H19F2N7O2 — CID 123709930

IUPAC2-amino-6-fluoro-N-[5-fluoro-4-[4-(hydroxymethyl)piperidin-1-yl]-3-pyridinyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESNc1nn2cc(F)cnc2c1C(=O)Nc1cncc(F)c1N1CCC(CO)CC1
InChIInChI=1S/C18H19F2N7O2/c19-11-5-23-17-14(16(21)25-27(17)8-11)18(29)24-13-7-22-6-12(20)15(13)26-3-1-10(9-28)2-4-26/h5-8,10,28H,1-4,9H2,(H2,21,25)(H,24,29)
InChIKeyBMQUCJFTBUKDEU-UHFFFAOYSA-N
MW403.39 g/mol
LogP1.45
Rot. Bonds4

About 2-amino-6-fluoro-N-[5-fluoro-4-[4-(hydroxymethyl)piperidin-1-yl]-3-pyridinyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide

2-amino-6-fluoro-N-[5-fluoro-4-[4-(hydroxymethyl)piperidin-1-yl]-3-pyridinyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide (PubChem CID 123709930) has the molecular formula C18H19F2N7O2 and a molecular weight of 403.39 g/mol. Its IUPAC name is 2-amino-6-fluoro-N-[5-fluoro-4-[4-(hydroxymethyl)piperidin-1-yl]-3-pyridinyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide.

Molecular Properties

Compound Name2-amino-6-fluoro-N-[5-fluoro-4-[4-(hydroxymethyl)piperidin-1-yl]-3-pyridinyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
PubChem CID123709930
Molecular FormulaC18H19F2N7O2
Molecular Weight403.39 g/mol
Exact Mass403.16
IUPAC Name2-amino-6-fluoro-N-[5-fluoro-4-[4-(hydroxymethyl)piperidin-1-yl]-3-pyridinyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESNc1nn2cc(F)cnc2c1C(=O)Nc1cncc(F)c1N1CCC(CO)CC1
InChIInChI=1S/C18H19F2N7O2/c19-11-5-23-17-14(16(21)25-27(17)8-11)18(29)24-13-7-22-6-12(20)15(13)26-3-1-10(9-28)2-4-26/h5-8,10,28H,1-4,9H2,(H2,21,25)(H,24,29)
InChIKeyBMQUCJFTBUKDEU-UHFFFAOYSA-N
XLogP1.45
TPSA121.67 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.39
LogP ≤ 51.45
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

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Related Compounds

2-amino-N-[4-[4-(dimethylsulfamoyl)piperidin-1-yl]-5-fluoro-3-pyridinyl]-6-fluoropyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 90199393
2-amino-6-fluoro-N-[5-fluoro-4-[4-(4-methylpiperazin-1-yl)sulfonylpiperidin-1-yl]-3-pyridinyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 90199342
2-amino-6-fluoro-N-[5-fluoro-4-[4-(3-hydroxy-3-methylazetidine-1-carbonyl)piperidin-1-yl]-3-pyridinyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 90199563
2-amino-6-fluoro-N-[5-fluoro-4-[4-(4-piperidin-1-ylpiperidine-1-carbonyl)piperidin-1-yl]-3-pyridinyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 90199371
2-amino-N-[4-[4-[4-(azetidin-1-yl)piperidine-1-carbonyl]piperidin-1-yl]-5-fluoro-3-pyridinyl]-6-fluoropyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 90199659
2-amino-N-[4-[4-(1-ethylpyrrolidine-2-carbonyl)piperazin-1-yl]-5-fluoro-3-pyridinyl]-6-fluoropyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 90199658
2-amino-6-fluoro-N-[5-fluoro-4-[4-(5-methyl-2,5-diazabicyclo[2.2.1]heptane-2-carbonyl)piperidin-1-yl]-3-pyridinyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 90199878
2-amino-6-fluoro-N-[5-fluoro-4-(4-methyl-3-oxopiperazin-1-yl)-3-pyridinyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 90199597
2-amino-6-fluoro-N-[5-methyl-4-[4-(4-methylpiperazine-1-carbonyl)piperidin-1-yl]-3-pyridinyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 90199548
2-amino-6-chloro-N-[5-fluoro-4-[4-(4-methylpiperazine-1-carbonyl)piperidin-1-yl]-3-pyridinyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 90200036
2-amino-5-deuterio-6-fluoro-N-[5-fluoro-4-[4-[4-(oxetan-3-yl)piperazine-1-carbonyl]piperidin-1-yl]-3-pyridinyl](313C)pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 118137342
2-amino-N-[5-cyclopropyl-4-[4-[(3S)-oxolan-3-yl]piperazin-1-yl]-3-pyridinyl]-6-fluoropyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 90200113

Frequently Asked Questions

What is the IUPAC name of 2-amino-6-fluoro-N-[5-fluoro-4-[4-(hydroxymethyl)piperidin-1-yl]-3-pyridinyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The IUPAC name of 2-amino-6-fluoro-N-[5-fluoro-4-[4-(hydroxymethyl)piperidin-1-yl]-3-pyridinyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide (CID 123709930) is 2-amino-6-fluoro-N-[5-fluoro-4-[4-(hydroxymethyl)piperidin-1-yl]-3-pyridinyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide.
What is the SMILES notation for 2-amino-6-fluoro-N-[5-fluoro-4-[4-(hydroxymethyl)piperidin-1-yl]-3-pyridinyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The canonical SMILES for 2-amino-6-fluoro-N-[5-fluoro-4-[4-(hydroxymethyl)piperidin-1-yl]-3-pyridinyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide is Nc1nn2cc(F)cnc2c1C(=O)Nc1cncc(F)c1N1CCC(CO)CC1.
What is the InChIKey of 2-amino-6-fluoro-N-[5-fluoro-4-[4-(hydroxymethyl)piperidin-1-yl]-3-pyridinyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The InChIKey is BMQUCJFTBUKDEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19F2N7O2/c19-11-5-23-17-14(16(21)25-27(17)8-11)18(29)24-13-7-22-6-12(20)15(13)26-3-1-10(9-28)2-4-26/h5-8,10,28H,1-4,9H2,(H2,21,25)(H,24,29).
What are the key properties of 2-amino-6-fluoro-N-[5-fluoro-4-[4-(hydroxymethyl)piperidin-1-yl]-3-pyridinyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide?
2-amino-6-fluoro-N-[5-fluoro-4-[4-(hydroxymethyl)piperidin-1-yl]-3-pyridinyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide has a molecular weight of 403.39 g/mol, XLogP of 1.45, 4 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-6-fluoro-N-[5-fluoro-4-[4-(hydroxymethyl)piperidin-1-yl]-3-pyridinyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide is sourced from PubChem (CID 123709930), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).