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

C19H20F2N6O — CID 171505626

IUPAC6-(5-cyclopropyl-6-methoxypyrazolo[1,5-a]pyrimidin-3-yl)-3-fluoro-N-(4-fluoropyrrolidin-3-yl)pyridin-2-amine
SMILESCOc1cn2ncc(-c3ccc(F)c(NC4CNCC4F)n3)c2nc1C1CC1
InChIInChI=1S/C19H20F2N6O/c1-28-16-9-27-19(26-17(16)10-2-3-10)11(6-23-27)14-5-4-12(20)18(24-14)25-15-8-22-7-13(15)21/h4-6,9-10,13,15,22H,2-3,7-8H2,1H3,(H,24,25)
InChIKeyUSXWKHSZAVWYQE-UHFFFAOYSA-N
MW386.41 g/mol
LogP2.54
Rot. Bonds5

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

6-(5-cyclopropyl-6-methoxypyrazolo[1,5-a]pyrimidin-3-yl)-3-fluoro-N-(4-fluoropyrrolidin-3-yl)pyridin-2-amine (PubChem CID 171505626) has the molecular formula C19H20F2N6O and a molecular weight of 386.41 g/mol. Its IUPAC name is 6-(5-cyclopropyl-6-methoxypyrazolo[1,5-a]pyrimidin-3-yl)-3-fluoro-N-(4-fluoropyrrolidin-3-yl)pyridin-2-amine.

Molecular Properties

Compound Name6-(5-cyclopropyl-6-methoxypyrazolo[1,5-a]pyrimidin-3-yl)-3-fluoro-N-(4-fluoropyrrolidin-3-yl)pyridin-2-amine
PubChem CID171505626
Molecular FormulaC19H20F2N6O
Molecular Weight386.41 g/mol
Exact Mass386.17
IUPAC Name6-(5-cyclopropyl-6-methoxypyrazolo[1,5-a]pyrimidin-3-yl)-3-fluoro-N-(4-fluoropyrrolidin-3-yl)pyridin-2-amine
SMILESCOc1cn2ncc(-c3ccc(F)c(NC4CNCC4F)n3)c2nc1C1CC1
InChIInChI=1S/C19H20F2N6O/c1-28-16-9-27-19(26-17(16)10-2-3-10)11(6-23-27)14-5-4-12(20)18(24-14)25-15-8-22-7-13(15)21/h4-6,9-10,13,15,22H,2-3,7-8H2,1H3,(H,24,25)
InChIKeyUSXWKHSZAVWYQE-UHFFFAOYSA-N
XLogP2.54
TPSA76.37 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.41
LogP ≤ 52.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

6-(5-cyclopropyl-6-methoxypyrazolo[1,5-a]pyrimidin-3-yl)-3,5-difluoro-N-(4-fluoropyrrolidin-3-yl)pyridin-2-amine
CID 171505712
6-(5-cyclopropyl-6-methoxypyrazolo[1,5-a]pyrimidin-3-yl)-N-[(3S,4S)-4-fluoropyrrolidin-3-yl]pyridin-2-amine
CID 171505629
4-(5-cyclopropyl-6-methoxypyrazolo[1,5-a]pyrimidin-3-yl)-5-fluoro-N-(4-fluoropyrrolidin-3-yl)pyrimidin-2-amine
CID 171505733
6-(5-cyclopropyl-6-methoxypyrazolo[1,5-a]pyrimidin-3-yl)-5-fluoro-N-piperidin-3-ylpyridin-2-amine
CID 171505735
N-(4-fluoropyrrolidin-3-yl)-6-(6-methoxypyrazolo[1,5-a]pyrimidin-3-yl)pyridin-2-amine
CID 171505645
2-[3-[3,5-difluoro-6-[(4-fluoropiperidin-3-yl)amino]-2-pyridinyl]-6-methoxypyrazolo[1,5-a]pyrimidin-5-yl]propan-2-ol
CID 171505554
2-amino-6-(5-cyclopropyl-6-methoxypyrazolo[1,5-a]pyrimidin-3-yl)-5-fluoropyridine-3-carbonitrile
CID 171505600
6-(6-cyclopropyl-7-methoxyimidazo[1,2-b]pyridazin-3-yl)-5-fluoro-N-[(3S,4S)-4-fluoropyrrolidin-3-yl]pyridin-2-amine
CID 170630990
2-chloro-6-(5-cyclopropyl-6-methoxypyrazolo[1,5-a]pyrimidin-3-yl)-5-fluoropyridine-3-carbonitrile
CID 171505548
2-[3-[5-fluoro-2-[[(3S,4S)-4-fluoropiperidin-3-yl]amino]pyrimidin-4-yl]-6-methoxypyrazolo[1,5-a]pyrimidin-5-yl]propan-2-ol
CID 171505727
6-(6-cyclopentyl-7-methoxyimidazo[1,2-b]pyridazin-3-yl)-3,5-difluoro-N-(4-fluoropyrrolidin-3-yl)pyridin-2-amine
CID 170630869
6-(6-cyclopentyl-7-methoxyimidazo[1,2-b]pyridazin-3-yl)-3,5-difluoro-N-[(3R,4R)-4-fluoropyrrolidin-3-yl]pyridin-2-amine
CID 170630965

Frequently Asked Questions

What is the IUPAC name of 6-(5-cyclopropyl-6-methoxypyrazolo[1,5-a]pyrimidin-3-yl)-3-fluoro-N-(4-fluoropyrrolidin-3-yl)pyridin-2-amine?
The IUPAC name of 6-(5-cyclopropyl-6-methoxypyrazolo[1,5-a]pyrimidin-3-yl)-3-fluoro-N-(4-fluoropyrrolidin-3-yl)pyridin-2-amine (CID 171505626) is 6-(5-cyclopropyl-6-methoxypyrazolo[1,5-a]pyrimidin-3-yl)-3-fluoro-N-(4-fluoropyrrolidin-3-yl)pyridin-2-amine.
What is the SMILES notation for 6-(5-cyclopropyl-6-methoxypyrazolo[1,5-a]pyrimidin-3-yl)-3-fluoro-N-(4-fluoropyrrolidin-3-yl)pyridin-2-amine?
The canonical SMILES for 6-(5-cyclopropyl-6-methoxypyrazolo[1,5-a]pyrimidin-3-yl)-3-fluoro-N-(4-fluoropyrrolidin-3-yl)pyridin-2-amine is COc1cn2ncc(-c3ccc(F)c(NC4CNCC4F)n3)c2nc1C1CC1.
What is the InChIKey of 6-(5-cyclopropyl-6-methoxypyrazolo[1,5-a]pyrimidin-3-yl)-3-fluoro-N-(4-fluoropyrrolidin-3-yl)pyridin-2-amine?
The InChIKey is USXWKHSZAVWYQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20F2N6O/c1-28-16-9-27-19(26-17(16)10-2-3-10)11(6-23-27)14-5-4-12(20)18(24-14)25-15-8-22-7-13(15)21/h4-6,9-10,13,15,22H,2-3,7-8H2,1H3,(H,24,25).
What are the key properties of 6-(5-cyclopropyl-6-methoxypyrazolo[1,5-a]pyrimidin-3-yl)-3-fluoro-N-(4-fluoropyrrolidin-3-yl)pyridin-2-amine?
6-(5-cyclopropyl-6-methoxypyrazolo[1,5-a]pyrimidin-3-yl)-3-fluoro-N-(4-fluoropyrrolidin-3-yl)pyridin-2-amine has a molecular weight of 386.41 g/mol, XLogP of 2.54, 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)-3-fluoro-N-(4-fluoropyrrolidin-3-yl)pyridin-2-amine is sourced from PubChem (CID 171505626), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).