4-(7-cyclopropyloxyimidazo[1,2-a]pyridin-3-yl)-N-[(3S,4S)-4-fluoropyrrolidin-3-yl]pyrimidin-2-amine

C18H19FN6O — CID 167449944

IUPAC4-(7-cyclopropyloxyimidazo[1,2-a]pyridin-3-yl)-N-[(3S,4S)-4-fluoropyrrolidin-3-yl]pyrimidin-2-amine
SMILESF[C@H]1CNC[C@@H]1Nc1nccc(-c2cnc3cc(OC4CC4)ccn23)n1
InChIInChI=1S/C18H19FN6O/c19-13-8-20-9-15(13)24-18-21-5-3-14(23-18)16-10-22-17-7-12(4-6-25(16)17)26-11-1-2-11/h3-7,10-11,13,15,20H,1-2,8-9H2,(H,21,23,24)/t13-,15-/m0/s1
InChIKeyMXEPXUKBKFAIEY-ZFWWWQNUSA-N
MW354.39 g/mol
LogP2.05
Rot. Bonds5

About 4-(7-cyclopropyloxyimidazo[1,2-a]pyridin-3-yl)-N-[(3S,4S)-4-fluoropyrrolidin-3-yl]pyrimidin-2-amine

4-(7-cyclopropyloxyimidazo[1,2-a]pyridin-3-yl)-N-[(3S,4S)-4-fluoropyrrolidin-3-yl]pyrimidin-2-amine (PubChem CID 167449944) has the molecular formula C18H19FN6O and a molecular weight of 354.39 g/mol. Its IUPAC name is 4-(7-cyclopropyloxyimidazo[1,2-a]pyridin-3-yl)-N-[(3S,4S)-4-fluoropyrrolidin-3-yl]pyrimidin-2-amine.

Molecular Properties

Compound Name4-(7-cyclopropyloxyimidazo[1,2-a]pyridin-3-yl)-N-[(3S,4S)-4-fluoropyrrolidin-3-yl]pyrimidin-2-amine
PubChem CID167449944
Molecular FormulaC18H19FN6O
Molecular Weight354.39 g/mol
Exact Mass354.16
IUPAC Name4-(7-cyclopropyloxyimidazo[1,2-a]pyridin-3-yl)-N-[(3S,4S)-4-fluoropyrrolidin-3-yl]pyrimidin-2-amine
SMILESF[C@H]1CNC[C@@H]1Nc1nccc(-c2cnc3cc(OC4CC4)ccn23)n1
InChIInChI=1S/C18H19FN6O/c19-13-8-20-9-15(13)24-18-21-5-3-14(23-18)16-10-22-17-7-12(4-6-25(16)17)26-11-1-2-11/h3-7,10-11,13,15,20H,1-2,8-9H2,(H,21,23,24)/t13-,15-/m0/s1
InChIKeyMXEPXUKBKFAIEY-ZFWWWQNUSA-N
XLogP2.05
TPSA76.37 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.39
LogP ≤ 52.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 4-(7-cyclopropyloxyimidazo[1,2-a]pyridin-3-yl)-N-[(3S,4S)-4-fluoropyrrolidin-3-yl]pyrimidin-2-amine?
The IUPAC name of 4-(7-cyclopropyloxyimidazo[1,2-a]pyridin-3-yl)-N-[(3S,4S)-4-fluoropyrrolidin-3-yl]pyrimidin-2-amine (CID 167449944) is 4-(7-cyclopropyloxyimidazo[1,2-a]pyridin-3-yl)-N-[(3S,4S)-4-fluoropyrrolidin-3-yl]pyrimidin-2-amine.
What is the SMILES notation for 4-(7-cyclopropyloxyimidazo[1,2-a]pyridin-3-yl)-N-[(3S,4S)-4-fluoropyrrolidin-3-yl]pyrimidin-2-amine?
The canonical SMILES for 4-(7-cyclopropyloxyimidazo[1,2-a]pyridin-3-yl)-N-[(3S,4S)-4-fluoropyrrolidin-3-yl]pyrimidin-2-amine is F[C@H]1CNC[C@@H]1Nc1nccc(-c2cnc3cc(OC4CC4)ccn23)n1.
What is the InChIKey of 4-(7-cyclopropyloxyimidazo[1,2-a]pyridin-3-yl)-N-[(3S,4S)-4-fluoropyrrolidin-3-yl]pyrimidin-2-amine?
The InChIKey is MXEPXUKBKFAIEY-ZFWWWQNUSA-N. The full InChI is InChI=1S/C18H19FN6O/c19-13-8-20-9-15(13)24-18-21-5-3-14(23-18)16-10-22-17-7-12(4-6-25(16)17)26-11-1-2-11/h3-7,10-11,13,15,20H,1-2,8-9H2,(H,21,23,24)/t13-,15-/m0/s1.
What are the key properties of 4-(7-cyclopropyloxyimidazo[1,2-a]pyridin-3-yl)-N-[(3S,4S)-4-fluoropyrrolidin-3-yl]pyrimidin-2-amine?
4-(7-cyclopropyloxyimidazo[1,2-a]pyridin-3-yl)-N-[(3S,4S)-4-fluoropyrrolidin-3-yl]pyrimidin-2-amine has a molecular weight of 354.39 g/mol, XLogP of 2.05, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(7-cyclopropyloxyimidazo[1,2-a]pyridin-3-yl)-N-[(3S,4S)-4-fluoropyrrolidin-3-yl]pyrimidin-2-amine is sourced from PubChem (CID 167449944), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).