(3S,4R)-1-[(6-methylimidazo[1,2-a]pyridin-2-yl)methyl]-4-phenylpyrrolidin-3-amine

C19H22N4 — CID 120761299

IUPAC(3S,4R)-1-[(6-methylimidazo[1,2-a]pyridin-2-yl)methyl]-4-phenylpyrrolidin-3-amine
SMILESCc1ccc2nc(CN3C[C@@H](N)[C@H](c4ccccc4)C3)cn2c1
InChIInChI=1S/C19H22N4/c1-14-7-8-19-21-16(11-23(19)9-14)10-22-12-17(18(20)13-22)15-5-3-2-4-6-15/h2-9,11,17-18H,10,12-13,20H2,1H3/t17-,18+/m0/s1
InChIKeyWFKBZYSWHJUBGB-ZWKOTPCHSA-N
MW306.41 g/mol
LogP2.57
Rot. Bonds3

About (3S,4R)-1-[(6-methylimidazo[1,2-a]pyridin-2-yl)methyl]-4-phenylpyrrolidin-3-amine

(3S,4R)-1-[(6-methylimidazo[1,2-a]pyridin-2-yl)methyl]-4-phenylpyrrolidin-3-amine (PubChem CID 120761299) has the molecular formula C19H22N4 and a molecular weight of 306.41 g/mol. Its IUPAC name is (3S,4R)-1-[(6-methylimidazo[1,2-a]pyridin-2-yl)methyl]-4-phenylpyrrolidin-3-amine.

Molecular Properties

Compound Name(3S,4R)-1-[(6-methylimidazo[1,2-a]pyridin-2-yl)methyl]-4-phenylpyrrolidin-3-amine
PubChem CID120761299
Molecular FormulaC19H22N4
Molecular Weight306.41 g/mol
Exact Mass306.18
IUPAC Name(3S,4R)-1-[(6-methylimidazo[1,2-a]pyridin-2-yl)methyl]-4-phenylpyrrolidin-3-amine
SMILESCc1ccc2nc(CN3C[C@@H](N)[C@H](c4ccccc4)C3)cn2c1
InChIInChI=1S/C19H22N4/c1-14-7-8-19-21-16(11-23(19)9-14)10-22-12-17(18(20)13-22)15-5-3-2-4-6-15/h2-9,11,17-18H,10,12-13,20H2,1H3/t17-,18+/m0/s1
InChIKeyWFKBZYSWHJUBGB-ZWKOTPCHSA-N
XLogP2.57
TPSA46.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.41
LogP ≤ 52.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (3S,4R)-1-[(6-methylimidazo[1,2-a]pyridin-2-yl)methyl]-4-phenylpyrrolidin-3-amine?
The IUPAC name of (3S,4R)-1-[(6-methylimidazo[1,2-a]pyridin-2-yl)methyl]-4-phenylpyrrolidin-3-amine (CID 120761299) is (3S,4R)-1-[(6-methylimidazo[1,2-a]pyridin-2-yl)methyl]-4-phenylpyrrolidin-3-amine.
What is the SMILES notation for (3S,4R)-1-[(6-methylimidazo[1,2-a]pyridin-2-yl)methyl]-4-phenylpyrrolidin-3-amine?
The canonical SMILES for (3S,4R)-1-[(6-methylimidazo[1,2-a]pyridin-2-yl)methyl]-4-phenylpyrrolidin-3-amine is Cc1ccc2nc(CN3C[C@@H](N)[C@H](c4ccccc4)C3)cn2c1.
What is the InChIKey of (3S,4R)-1-[(6-methylimidazo[1,2-a]pyridin-2-yl)methyl]-4-phenylpyrrolidin-3-amine?
The InChIKey is WFKBZYSWHJUBGB-ZWKOTPCHSA-N. The full InChI is InChI=1S/C19H22N4/c1-14-7-8-19-21-16(11-23(19)9-14)10-22-12-17(18(20)13-22)15-5-3-2-4-6-15/h2-9,11,17-18H,10,12-13,20H2,1H3/t17-,18+/m0/s1.
What are the key properties of (3S,4R)-1-[(6-methylimidazo[1,2-a]pyridin-2-yl)methyl]-4-phenylpyrrolidin-3-amine?
(3S,4R)-1-[(6-methylimidazo[1,2-a]pyridin-2-yl)methyl]-4-phenylpyrrolidin-3-amine has a molecular weight of 306.41 g/mol, XLogP of 2.57, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,4R)-1-[(6-methylimidazo[1,2-a]pyridin-2-yl)methyl]-4-phenylpyrrolidin-3-amine is sourced from PubChem (CID 120761299), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).