6-(6-cyclopropylimidazo[1,2-a]pyridin-3-yl)-N-[(3R,4S)-4-(difluoromethyl)pyrrolidin-3-yl]pyridin-2-amine

C20H21F2N5 — CID 166961555

IUPAC6-(6-cyclopropylimidazo[1,2-a]pyridin-3-yl)-N-[(3R,4S)-4-(difluoromethyl)pyrrolidin-3-yl]pyridin-2-amine
SMILESFC(F)[C@H]1CNC[C@@H]1Nc1cccc(-c2cnc3ccc(C4CC4)cn23)n1
InChIInChI=1S/C20H21F2N5/c21-20(22)14-8-23-9-16(14)26-18-3-1-2-15(25-18)17-10-24-19-7-6-13(11-27(17)19)12-4-5-12/h1-3,6-7,10-12,14,16,20,23H,4-5,8-9H2,(H,25,26)/t14-,16-/m0/s1
InChIKeyMINWMNHFXQZNMG-HOCLYGCPSA-N
MW369.42 g/mol
LogP3.54
Rot. Bonds5

About 6-(6-cyclopropylimidazo[1,2-a]pyridin-3-yl)-N-[(3R,4S)-4-(difluoromethyl)pyrrolidin-3-yl]pyridin-2-amine

6-(6-cyclopropylimidazo[1,2-a]pyridin-3-yl)-N-[(3R,4S)-4-(difluoromethyl)pyrrolidin-3-yl]pyridin-2-amine (PubChem CID 166961555) has the molecular formula C20H21F2N5 and a molecular weight of 369.42 g/mol. Its IUPAC name is 6-(6-cyclopropylimidazo[1,2-a]pyridin-3-yl)-N-[(3R,4S)-4-(difluoromethyl)pyrrolidin-3-yl]pyridin-2-amine.

Molecular Properties

Compound Name6-(6-cyclopropylimidazo[1,2-a]pyridin-3-yl)-N-[(3R,4S)-4-(difluoromethyl)pyrrolidin-3-yl]pyridin-2-amine
PubChem CID166961555
Molecular FormulaC20H21F2N5
Molecular Weight369.42 g/mol
Exact Mass369.18
IUPAC Name6-(6-cyclopropylimidazo[1,2-a]pyridin-3-yl)-N-[(3R,4S)-4-(difluoromethyl)pyrrolidin-3-yl]pyridin-2-amine
SMILESFC(F)[C@H]1CNC[C@@H]1Nc1cccc(-c2cnc3ccc(C4CC4)cn23)n1
InChIInChI=1S/C20H21F2N5/c21-20(22)14-8-23-9-16(14)26-18-3-1-2-15(25-18)17-10-24-19-7-6-13(11-27(17)19)12-4-5-12/h1-3,6-7,10-12,14,16,20,23H,4-5,8-9H2,(H,25,26)/t14-,16-/m0/s1
InChIKeyMINWMNHFXQZNMG-HOCLYGCPSA-N
XLogP3.54
TPSA54.25 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.42
LogP ≤ 53.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-(6-cyclopropylimidazo[1,2-a]pyridin-3-yl)-N-[(3R,4S)-4-(difluoromethyl)pyrrolidin-3-yl]pyridin-2-amine?
The IUPAC name of 6-(6-cyclopropylimidazo[1,2-a]pyridin-3-yl)-N-[(3R,4S)-4-(difluoromethyl)pyrrolidin-3-yl]pyridin-2-amine (CID 166961555) is 6-(6-cyclopropylimidazo[1,2-a]pyridin-3-yl)-N-[(3R,4S)-4-(difluoromethyl)pyrrolidin-3-yl]pyridin-2-amine.
What is the SMILES notation for 6-(6-cyclopropylimidazo[1,2-a]pyridin-3-yl)-N-[(3R,4S)-4-(difluoromethyl)pyrrolidin-3-yl]pyridin-2-amine?
The canonical SMILES for 6-(6-cyclopropylimidazo[1,2-a]pyridin-3-yl)-N-[(3R,4S)-4-(difluoromethyl)pyrrolidin-3-yl]pyridin-2-amine is FC(F)[C@H]1CNC[C@@H]1Nc1cccc(-c2cnc3ccc(C4CC4)cn23)n1.
What is the InChIKey of 6-(6-cyclopropylimidazo[1,2-a]pyridin-3-yl)-N-[(3R,4S)-4-(difluoromethyl)pyrrolidin-3-yl]pyridin-2-amine?
The InChIKey is MINWMNHFXQZNMG-HOCLYGCPSA-N. The full InChI is InChI=1S/C20H21F2N5/c21-20(22)14-8-23-9-16(14)26-18-3-1-2-15(25-18)17-10-24-19-7-6-13(11-27(17)19)12-4-5-12/h1-3,6-7,10-12,14,16,20,23H,4-5,8-9H2,(H,25,26)/t14-,16-/m0/s1.
What are the key properties of 6-(6-cyclopropylimidazo[1,2-a]pyridin-3-yl)-N-[(3R,4S)-4-(difluoromethyl)pyrrolidin-3-yl]pyridin-2-amine?
6-(6-cyclopropylimidazo[1,2-a]pyridin-3-yl)-N-[(3R,4S)-4-(difluoromethyl)pyrrolidin-3-yl]pyridin-2-amine has a molecular weight of 369.42 g/mol, XLogP of 3.54, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(6-cyclopropylimidazo[1,2-a]pyridin-3-yl)-N-[(3R,4S)-4-(difluoromethyl)pyrrolidin-3-yl]pyridin-2-amine is sourced from PubChem (CID 166961555), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).