6-(5-cyclopropyl-6-methoxypyrazolo[1,5-a]pyrimidin-3-yl)-N-[(3S,4S)-4-fluoropyrrolidin-3-yl]pyridin-2-amine

C19H21FN6O — CID 171505629

IUPAC6-(5-cyclopropyl-6-methoxypyrazolo[1,5-a]pyrimidin-3-yl)-N-[(3S,4S)-4-fluoropyrrolidin-3-yl]pyridin-2-amine
SMILESCOc1cn2ncc(-c3cccc(N[C@H]4CNC[C@@H]4F)n3)c2nc1C1CC1
InChIInChI=1S/C19H21FN6O/c1-27-16-10-26-19(25-18(16)11-5-6-11)12(7-22-26)14-3-2-4-17(23-14)24-15-9-21-8-13(15)20/h2-4,7,10-11,13,15,21H,5-6,8-9H2,1H3,(H,23,24)/t13-,15-/m0/s1
InChIKeyIVNQBWVLIRTXEE-ZFWWWQNUSA-N
MW368.42 g/mol
LogP2.40
Rot. Bonds5

About 6-(5-cyclopropyl-6-methoxypyrazolo[1,5-a]pyrimidin-3-yl)-N-[(3S,4S)-4-fluoropyrrolidin-3-yl]pyridin-2-amine

6-(5-cyclopropyl-6-methoxypyrazolo[1,5-a]pyrimidin-3-yl)-N-[(3S,4S)-4-fluoropyrrolidin-3-yl]pyridin-2-amine (PubChem CID 171505629) has the molecular formula C19H21FN6O and a molecular weight of 368.42 g/mol. Its IUPAC name is 6-(5-cyclopropyl-6-methoxypyrazolo[1,5-a]pyrimidin-3-yl)-N-[(3S,4S)-4-fluoropyrrolidin-3-yl]pyridin-2-amine.

Molecular Properties

Compound Name6-(5-cyclopropyl-6-methoxypyrazolo[1,5-a]pyrimidin-3-yl)-N-[(3S,4S)-4-fluoropyrrolidin-3-yl]pyridin-2-amine
PubChem CID171505629
Molecular FormulaC19H21FN6O
Molecular Weight368.42 g/mol
Exact Mass368.18
IUPAC Name6-(5-cyclopropyl-6-methoxypyrazolo[1,5-a]pyrimidin-3-yl)-N-[(3S,4S)-4-fluoropyrrolidin-3-yl]pyridin-2-amine
SMILESCOc1cn2ncc(-c3cccc(N[C@H]4CNC[C@@H]4F)n3)c2nc1C1CC1
InChIInChI=1S/C19H21FN6O/c1-27-16-10-26-19(25-18(16)11-5-6-11)12(7-22-26)14-3-2-4-17(23-14)24-15-9-21-8-13(15)20/h2-4,7,10-11,13,15,21H,5-6,8-9H2,1H3,(H,23,24)/t13-,15-/m0/s1
InChIKeyIVNQBWVLIRTXEE-ZFWWWQNUSA-N
XLogP2.40
TPSA76.37 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.42
LogP ≤ 52.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 6-(5-cyclopropyl-6-methoxypyrazolo[1,5-a]pyrimidin-3-yl)-N-[(3S,4S)-4-fluoropyrrolidin-3-yl]pyridin-2-amine?
The IUPAC name of 6-(5-cyclopropyl-6-methoxypyrazolo[1,5-a]pyrimidin-3-yl)-N-[(3S,4S)-4-fluoropyrrolidin-3-yl]pyridin-2-amine (CID 171505629) is 6-(5-cyclopropyl-6-methoxypyrazolo[1,5-a]pyrimidin-3-yl)-N-[(3S,4S)-4-fluoropyrrolidin-3-yl]pyridin-2-amine.
What is the SMILES notation for 6-(5-cyclopropyl-6-methoxypyrazolo[1,5-a]pyrimidin-3-yl)-N-[(3S,4S)-4-fluoropyrrolidin-3-yl]pyridin-2-amine?
The canonical SMILES for 6-(5-cyclopropyl-6-methoxypyrazolo[1,5-a]pyrimidin-3-yl)-N-[(3S,4S)-4-fluoropyrrolidin-3-yl]pyridin-2-amine is COc1cn2ncc(-c3cccc(N[C@H]4CNC[C@@H]4F)n3)c2nc1C1CC1.
What is the InChIKey of 6-(5-cyclopropyl-6-methoxypyrazolo[1,5-a]pyrimidin-3-yl)-N-[(3S,4S)-4-fluoropyrrolidin-3-yl]pyridin-2-amine?
The InChIKey is IVNQBWVLIRTXEE-ZFWWWQNUSA-N. The full InChI is InChI=1S/C19H21FN6O/c1-27-16-10-26-19(25-18(16)11-5-6-11)12(7-22-26)14-3-2-4-17(23-14)24-15-9-21-8-13(15)20/h2-4,7,10-11,13,15,21H,5-6,8-9H2,1H3,(H,23,24)/t13-,15-/m0/s1.
What are the key properties of 6-(5-cyclopropyl-6-methoxypyrazolo[1,5-a]pyrimidin-3-yl)-N-[(3S,4S)-4-fluoropyrrolidin-3-yl]pyridin-2-amine?
6-(5-cyclopropyl-6-methoxypyrazolo[1,5-a]pyrimidin-3-yl)-N-[(3S,4S)-4-fluoropyrrolidin-3-yl]pyridin-2-amine has a molecular weight of 368.42 g/mol, XLogP of 2.40, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(5-cyclopropyl-6-methoxypyrazolo[1,5-a]pyrimidin-3-yl)-N-[(3S,4S)-4-fluoropyrrolidin-3-yl]pyridin-2-amine is sourced from PubChem (CID 171505629), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).