N-[(3S,4S)-4-methoxypyrrolidin-3-yl]-6-[6-(1-methylcyclopropyl)imidazo[1,2-a]pyridin-3-yl]pyridin-2-amine

C21H25N5O — CID 163685187

IUPACN-[(3S,4S)-4-methoxypyrrolidin-3-yl]-6-[6-(1-methylcyclopropyl)imidazo[1,2-a]pyridin-3-yl]pyridin-2-amine
SMILESCO[C@H]1CNC[C@@H]1Nc1cccc(-c2cnc3ccc(C4(C)CC4)cn23)n1
InChIInChI=1S/C21H25N5O/c1-21(8-9-21)14-6-7-20-23-11-17(26(20)13-14)15-4-3-5-19(24-15)25-16-10-22-12-18(16)27-2/h3-7,11,13,16,18,22H,8-10,12H2,1-2H3,(H,24,25)/t16-,18-/m0/s1
InChIKeyJOGIYNFTOOGHNQ-WMZOPIPTSA-N
MW363.47 g/mol
LogP2.85
Rot. Bonds5

About N-[(3S,4S)-4-methoxypyrrolidin-3-yl]-6-[6-(1-methylcyclopropyl)imidazo[1,2-a]pyridin-3-yl]pyridin-2-amine

N-[(3S,4S)-4-methoxypyrrolidin-3-yl]-6-[6-(1-methylcyclopropyl)imidazo[1,2-a]pyridin-3-yl]pyridin-2-amine (PubChem CID 163685187) has the molecular formula C21H25N5O and a molecular weight of 363.47 g/mol. Its IUPAC name is N-[(3S,4S)-4-methoxypyrrolidin-3-yl]-6-[6-(1-methylcyclopropyl)imidazo[1,2-a]pyridin-3-yl]pyridin-2-amine.

Molecular Properties

Compound NameN-[(3S,4S)-4-methoxypyrrolidin-3-yl]-6-[6-(1-methylcyclopropyl)imidazo[1,2-a]pyridin-3-yl]pyridin-2-amine
PubChem CID163685187
Molecular FormulaC21H25N5O
Molecular Weight363.47 g/mol
Exact Mass363.21
IUPAC NameN-[(3S,4S)-4-methoxypyrrolidin-3-yl]-6-[6-(1-methylcyclopropyl)imidazo[1,2-a]pyridin-3-yl]pyridin-2-amine
SMILESCO[C@H]1CNC[C@@H]1Nc1cccc(-c2cnc3ccc(C4(C)CC4)cn23)n1
InChIInChI=1S/C21H25N5O/c1-21(8-9-21)14-6-7-20-23-11-17(26(20)13-14)15-4-3-5-19(24-15)25-16-10-22-12-18(16)27-2/h3-7,11,13,16,18,22H,8-10,12H2,1-2H3,(H,24,25)/t16-,18-/m0/s1
InChIKeyJOGIYNFTOOGHNQ-WMZOPIPTSA-N
XLogP2.85
TPSA63.48 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.47
LogP ≤ 52.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

Fadraciclib
CID 24983461
(2R,3S)-3-[[9-propan-2-yl-6-(pyridin-3-ylmethylamino)purin-2-yl]amino]pentan-2-ol
CID 9842276
(3RS,4R)-4-{9-Isopropyl-6-[(pyridin-3-ylmethyl)-amino]-9H-purin-2-ylamino}-hexan-3-ol
CID 12111409
(3RS,4R)-4-{9-Isopropyl-6-[(pyridin-3-ylmethyl)-amino]-9H-purin-2-ylamino}-2-methyl-hexan-3-ol
CID 12111411
(3RS,4R)-4-{9-Isopropyl-6-[(pyridin-3-ylmethyl)-amino]-9H-purin-2-ylamino}-2,2-dimethyl-hexan-3-ol
CID 12111413
2-{4-[7-Dimethylaminomethyl-2-(4-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-2-ylamino}ethanol
CID 24746215
Cyclopropyl{4-[7-dimethylaminomethyl-2-(4-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-2-yl}amine
CID 24746216
{4-[7-Dimethylaminomethyl-2-(4-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-2-yl}-(2-methoxyethyl)amine
CID 24746218
{4-[7-Dimethylaminomethyl-2-(4-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-2-yl}-(3-methoxypropyl)amine
CID 24746385
4-(2-(4-Fluorophenyl)-7-{[(2-methoxyethyl)methylamino] methyl}imidazo[1,2-a]pyridin-3-yl)pyrimidin-2-ylamine
CID 24887881
2-[[2-(4-fluorophenyl)-3-[2-[[(1S)-1-phenylethyl]amino]pyrimidin-4-yl]imidazo[1,2-a]pyridin-7-yl]methyl-methylamino]ethanol
CID 44431983
4-[2-(4-fluorophenyl)-7-[[methyl(oxolan-2-ylmethyl)amino]methyl]imidazo[1,2-a]pyridin-3-yl]-N-[(1S)-1-phenylethyl]pyrimidin-2-amine
CID 44431988

Frequently Asked Questions

What is the IUPAC name of N-[(3S,4S)-4-methoxypyrrolidin-3-yl]-6-[6-(1-methylcyclopropyl)imidazo[1,2-a]pyridin-3-yl]pyridin-2-amine?
The IUPAC name of N-[(3S,4S)-4-methoxypyrrolidin-3-yl]-6-[6-(1-methylcyclopropyl)imidazo[1,2-a]pyridin-3-yl]pyridin-2-amine (CID 163685187) is N-[(3S,4S)-4-methoxypyrrolidin-3-yl]-6-[6-(1-methylcyclopropyl)imidazo[1,2-a]pyridin-3-yl]pyridin-2-amine.
What is the SMILES notation for N-[(3S,4S)-4-methoxypyrrolidin-3-yl]-6-[6-(1-methylcyclopropyl)imidazo[1,2-a]pyridin-3-yl]pyridin-2-amine?
The canonical SMILES for N-[(3S,4S)-4-methoxypyrrolidin-3-yl]-6-[6-(1-methylcyclopropyl)imidazo[1,2-a]pyridin-3-yl]pyridin-2-amine is CO[C@H]1CNC[C@@H]1Nc1cccc(-c2cnc3ccc(C4(C)CC4)cn23)n1.
What is the InChIKey of N-[(3S,4S)-4-methoxypyrrolidin-3-yl]-6-[6-(1-methylcyclopropyl)imidazo[1,2-a]pyridin-3-yl]pyridin-2-amine?
The InChIKey is JOGIYNFTOOGHNQ-WMZOPIPTSA-N. The full InChI is InChI=1S/C21H25N5O/c1-21(8-9-21)14-6-7-20-23-11-17(26(20)13-14)15-4-3-5-19(24-15)25-16-10-22-12-18(16)27-2/h3-7,11,13,16,18,22H,8-10,12H2,1-2H3,(H,24,25)/t16-,18-/m0/s1.
What are the key properties of N-[(3S,4S)-4-methoxypyrrolidin-3-yl]-6-[6-(1-methylcyclopropyl)imidazo[1,2-a]pyridin-3-yl]pyridin-2-amine?
N-[(3S,4S)-4-methoxypyrrolidin-3-yl]-6-[6-(1-methylcyclopropyl)imidazo[1,2-a]pyridin-3-yl]pyridin-2-amine has a molecular weight of 363.47 g/mol, XLogP of 2.85, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3S,4S)-4-methoxypyrrolidin-3-yl]-6-[6-(1-methylcyclopropyl)imidazo[1,2-a]pyridin-3-yl]pyridin-2-amine is sourced from PubChem (CID 163685187), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).