1-[(2S)-1-(imidazo[1,2-a]pyridin-7-ylmethylamino)-1-oxopropan-2-yl]-4-phenylpyrrolidine-2-carboxamide

C22H25N5O2 — CID 153286623

IUPAC1-[(2S)-1-(imidazo[1,2-a]pyridin-7-ylmethylamino)-1-oxopropan-2-yl]-4-phenylpyrrolidine-2-carboxamide
SMILESC[C@@H](C(=O)NCc1ccn2ccnc2c1)N1CC(c2ccccc2)CC1C(N)=O
InChIInChI=1S/C22H25N5O2/c1-15(22(29)25-13-16-7-9-26-10-8-24-20(26)11-16)27-14-18(12-19(27)21(23)28)17-5-3-2-4-6-17/h2-11,15,18-19H,12-14H2,1H3,(H2,23,28)(H,25,29)/t15-,18?,19?/m0/s1
InChIKeyFPZNWOOYCANFHX-MNNVXMFVSA-N
MW391.48 g/mol
LogP1.68
Rot. Bonds6

About 1-[(2S)-1-(imidazo[1,2-a]pyridin-7-ylmethylamino)-1-oxopropan-2-yl]-4-phenylpyrrolidine-2-carboxamide

1-[(2S)-1-(imidazo[1,2-a]pyridin-7-ylmethylamino)-1-oxopropan-2-yl]-4-phenylpyrrolidine-2-carboxamide (PubChem CID 153286623) has the molecular formula C22H25N5O2 and a molecular weight of 391.48 g/mol. Its IUPAC name is 1-[(2S)-1-(imidazo[1,2-a]pyridin-7-ylmethylamino)-1-oxopropan-2-yl]-4-phenylpyrrolidine-2-carboxamide.

Molecular Properties

Compound Name1-[(2S)-1-(imidazo[1,2-a]pyridin-7-ylmethylamino)-1-oxopropan-2-yl]-4-phenylpyrrolidine-2-carboxamide
PubChem CID153286623
Molecular FormulaC22H25N5O2
Molecular Weight391.48 g/mol
Exact Mass391.20
IUPAC Name1-[(2S)-1-(imidazo[1,2-a]pyridin-7-ylmethylamino)-1-oxopropan-2-yl]-4-phenylpyrrolidine-2-carboxamide
SMILESC[C@@H](C(=O)NCc1ccn2ccnc2c1)N1CC(c2ccccc2)CC1C(N)=O
InChIInChI=1S/C22H25N5O2/c1-15(22(29)25-13-16-7-9-26-10-8-24-20(26)11-16)27-14-18(12-19(27)21(23)28)17-5-3-2-4-6-17/h2-11,15,18-19H,12-14H2,1H3,(H2,23,28)(H,25,29)/t15-,18?,19?/m0/s1
InChIKeyFPZNWOOYCANFHX-MNNVXMFVSA-N
XLogP1.68
TPSA92.73 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.48
LogP ≤ 51.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

1-[(2S)-1-[(3-chloro-1H-pyrrolo[2,3-b]pyridin-5-yl)methylamino]-1-oxopropan-2-yl]-4-phenylpyrrolidine-2-carboxamide
CID 153286832
1-[(2S)-1-[(6-amino-2-ethyl-3-pyridinyl)methylamino]-1-oxopropan-2-yl]-4-phenylpyrrolidine-2-carboxamide;dihydrochloride
CID 153286773
1-[(2S)-1-[(3,5-dichloro-2-hydroxyphenyl)methylamino]-1-oxopropan-2-yl]-4-phenylpyrrolidine-2-carboxamide
CID 153286845
1-[(2S)-1-[[(5S)-2-amino-6,7-dihydro-5H-cyclopenta[b]pyridin-5-yl]amino]-1-oxopropan-2-yl]-4-phenylpyrrolidine-2-carboxamide
CID 176761656
1-[(2S)-1-[[(5R)-2-amino-6,7-dihydro-5H-cyclopenta[b]pyridin-5-yl]amino]-1-oxopropan-2-yl]-4-phenylpyrrolidine-2-carboxamide;hydrochloride
CID 176761496
N-(imidazo[1,2-a]pyridin-7-ylmethyl)-4-(1-propan-2-ylsulfonylazetidin-3-yl)benzamide
CID 86701965
1-[(2S)-1-[(4-carbamimidoylphenyl)methylamino]-1-oxopropan-2-yl]-4-(4-methylphenyl)pyrrolidine-2-carboxamide;dihydrochloride
CID 153286611
3-amino-N-(imidazo[1,2-a]pyridin-7-ylmethyl)cyclopentane-1-carboxamide
CID 119889498
4-[4-(imidazo[1,2-a]pyridin-7-ylmethylcarbamoylamino)phenyl]piperidine-1-carboxylic acid
CID 90015798
1-[(2S)-1-[[5-chloro-2-(tetrazol-1-yl)phenyl]methylamino]-1-oxopropan-2-yl]-4-phenylpiperidine-2-carboxamide
CID 153287122
N-[4-(imidazo[1,2-a]pyridin-7-ylmethylcarbamoylamino)phenyl]-4-methylpentanamide
CID 72699350
(2S)-2-amino-3-imidazo[1,2-a]pyridin-7-ylpropanoic acid
CID 96765274

Frequently Asked Questions

What is the IUPAC name of 1-[(2S)-1-(imidazo[1,2-a]pyridin-7-ylmethylamino)-1-oxopropan-2-yl]-4-phenylpyrrolidine-2-carboxamide?
The IUPAC name of 1-[(2S)-1-(imidazo[1,2-a]pyridin-7-ylmethylamino)-1-oxopropan-2-yl]-4-phenylpyrrolidine-2-carboxamide (CID 153286623) is 1-[(2S)-1-(imidazo[1,2-a]pyridin-7-ylmethylamino)-1-oxopropan-2-yl]-4-phenylpyrrolidine-2-carboxamide.
What is the SMILES notation for 1-[(2S)-1-(imidazo[1,2-a]pyridin-7-ylmethylamino)-1-oxopropan-2-yl]-4-phenylpyrrolidine-2-carboxamide?
The canonical SMILES for 1-[(2S)-1-(imidazo[1,2-a]pyridin-7-ylmethylamino)-1-oxopropan-2-yl]-4-phenylpyrrolidine-2-carboxamide is C[C@@H](C(=O)NCc1ccn2ccnc2c1)N1CC(c2ccccc2)CC1C(N)=O.
What is the InChIKey of 1-[(2S)-1-(imidazo[1,2-a]pyridin-7-ylmethylamino)-1-oxopropan-2-yl]-4-phenylpyrrolidine-2-carboxamide?
The InChIKey is FPZNWOOYCANFHX-MNNVXMFVSA-N. The full InChI is InChI=1S/C22H25N5O2/c1-15(22(29)25-13-16-7-9-26-10-8-24-20(26)11-16)27-14-18(12-19(27)21(23)28)17-5-3-2-4-6-17/h2-11,15,18-19H,12-14H2,1H3,(H2,23,28)(H,25,29)/t15-,18?,19?/m0/s1.
What are the key properties of 1-[(2S)-1-(imidazo[1,2-a]pyridin-7-ylmethylamino)-1-oxopropan-2-yl]-4-phenylpyrrolidine-2-carboxamide?
1-[(2S)-1-(imidazo[1,2-a]pyridin-7-ylmethylamino)-1-oxopropan-2-yl]-4-phenylpyrrolidine-2-carboxamide has a molecular weight of 391.48 g/mol, XLogP of 1.68, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2S)-1-(imidazo[1,2-a]pyridin-7-ylmethylamino)-1-oxopropan-2-yl]-4-phenylpyrrolidine-2-carboxamide is sourced from PubChem (CID 153286623), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).