(3S)-1-[2-(8-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl)pyrido[3,2-d]pyrimidin-6-yl]-N-methylpyrrolidin-3-amine

C20H20FN7 — CID 168976839

IUPAC(3S)-1-[2-(8-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl)pyrido[3,2-d]pyrimidin-6-yl]-N-methylpyrrolidin-3-amine
SMILESCN[C@H]1CCN(c2ccc3nc(-c4cc(F)c5nc(C)cn5c4)ncc3n2)C1
InChIInChI=1S/C20H20FN7/c1-12-9-28-10-13(7-15(21)20(28)24-12)19-23-8-17-16(26-19)3-4-18(25-17)27-6-5-14(11-27)22-2/h3-4,7-10,14,22H,5-6,11H2,1-2H3/t14-/m0/s1
InChIKeyMFOHOOHOOHUCHW-AWEZNQCLSA-N
MW377.43 g/mol
LogP2.59
Rot. Bonds3

About (3S)-1-[2-(8-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl)pyrido[3,2-d]pyrimidin-6-yl]-N-methylpyrrolidin-3-amine

(3S)-1-[2-(8-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl)pyrido[3,2-d]pyrimidin-6-yl]-N-methylpyrrolidin-3-amine (PubChem CID 168976839) has the molecular formula C20H20FN7 and a molecular weight of 377.43 g/mol. Its IUPAC name is (3S)-1-[2-(8-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl)pyrido[3,2-d]pyrimidin-6-yl]-N-methylpyrrolidin-3-amine.

Molecular Properties

Compound Name(3S)-1-[2-(8-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl)pyrido[3,2-d]pyrimidin-6-yl]-N-methylpyrrolidin-3-amine
PubChem CID168976839
Molecular FormulaC20H20FN7
Molecular Weight377.43 g/mol
Exact Mass377.18
IUPAC Name(3S)-1-[2-(8-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl)pyrido[3,2-d]pyrimidin-6-yl]-N-methylpyrrolidin-3-amine
SMILESCN[C@H]1CCN(c2ccc3nc(-c4cc(F)c5nc(C)cn5c4)ncc3n2)C1
InChIInChI=1S/C20H20FN7/c1-12-9-28-10-13(7-15(21)20(28)24-12)19-23-8-17-16(26-19)3-4-18(25-17)27-6-5-14(11-27)22-2/h3-4,7-10,14,22H,5-6,11H2,1-2H3/t14-/m0/s1
InChIKeyMFOHOOHOOHUCHW-AWEZNQCLSA-N
XLogP2.59
TPSA71.24 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.43
LogP ≤ 52.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of (3S)-1-[2-(8-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl)pyrido[3,2-d]pyrimidin-6-yl]-N-methylpyrrolidin-3-amine?
The IUPAC name of (3S)-1-[2-(8-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl)pyrido[3,2-d]pyrimidin-6-yl]-N-methylpyrrolidin-3-amine (CID 168976839) is (3S)-1-[2-(8-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl)pyrido[3,2-d]pyrimidin-6-yl]-N-methylpyrrolidin-3-amine.
What is the SMILES notation for (3S)-1-[2-(8-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl)pyrido[3,2-d]pyrimidin-6-yl]-N-methylpyrrolidin-3-amine?
The canonical SMILES for (3S)-1-[2-(8-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl)pyrido[3,2-d]pyrimidin-6-yl]-N-methylpyrrolidin-3-amine is CN[C@H]1CCN(c2ccc3nc(-c4cc(F)c5nc(C)cn5c4)ncc3n2)C1.
What is the InChIKey of (3S)-1-[2-(8-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl)pyrido[3,2-d]pyrimidin-6-yl]-N-methylpyrrolidin-3-amine?
The InChIKey is MFOHOOHOOHUCHW-AWEZNQCLSA-N. The full InChI is InChI=1S/C20H20FN7/c1-12-9-28-10-13(7-15(21)20(28)24-12)19-23-8-17-16(26-19)3-4-18(25-17)27-6-5-14(11-27)22-2/h3-4,7-10,14,22H,5-6,11H2,1-2H3/t14-/m0/s1.
What are the key properties of (3S)-1-[2-(8-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl)pyrido[3,2-d]pyrimidin-6-yl]-N-methylpyrrolidin-3-amine?
(3S)-1-[2-(8-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl)pyrido[3,2-d]pyrimidin-6-yl]-N-methylpyrrolidin-3-amine has a molecular weight of 377.43 g/mol, XLogP of 2.59, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-1-[2-(8-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl)pyrido[3,2-d]pyrimidin-6-yl]-N-methylpyrrolidin-3-amine is sourced from PubChem (CID 168976839), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).