4-[4-(imidazo[1,2-a]pyridin-7-ylmethylcarbamoylamino)phenyl]piperidine-1-carboxylic acid

C21H23N5O3 — CID 90015798

IUPAC4-[4-(imidazo[1,2-a]pyridin-7-ylmethylcarbamoylamino)phenyl]piperidine-1-carboxylic acid
SMILESO=C(NCc1ccn2ccnc2c1)Nc1ccc(C2CCN(C(=O)O)CC2)cc1
InChIInChI=1S/C21H23N5O3/c27-20(23-14-15-5-9-25-12-8-22-19(25)13-15)24-18-3-1-16(2-4-18)17-6-10-26(11-7-17)21(28)29/h1-5,8-9,12-13,17H,6-7,10-11,14H2,(H,28,29)(H2,23,24,27)
InChIKeyPYKYWHDZOMEDIR-UHFFFAOYSA-N
MW393.45 g/mol
LogP3.51
Rot. Bonds4

About 4-[4-(imidazo[1,2-a]pyridin-7-ylmethylcarbamoylamino)phenyl]piperidine-1-carboxylic acid

4-[4-(imidazo[1,2-a]pyridin-7-ylmethylcarbamoylamino)phenyl]piperidine-1-carboxylic acid (PubChem CID 90015798) has the molecular formula C21H23N5O3 and a molecular weight of 393.45 g/mol. Its IUPAC name is 4-[4-(imidazo[1,2-a]pyridin-7-ylmethylcarbamoylamino)phenyl]piperidine-1-carboxylic acid.

Molecular Properties

Compound Name4-[4-(imidazo[1,2-a]pyridin-7-ylmethylcarbamoylamino)phenyl]piperidine-1-carboxylic acid
PubChem CID90015798
Molecular FormulaC21H23N5O3
Molecular Weight393.45 g/mol
Exact Mass393.18
IUPAC Name4-[4-(imidazo[1,2-a]pyridin-7-ylmethylcarbamoylamino)phenyl]piperidine-1-carboxylic acid
SMILESO=C(NCc1ccn2ccnc2c1)Nc1ccc(C2CCN(C(=O)O)CC2)cc1
InChIInChI=1S/C21H23N5O3/c27-20(23-14-15-5-9-25-12-8-22-19(25)13-15)24-18-3-1-16(2-4-18)17-6-10-26(11-7-17)21(28)29/h1-5,8-9,12-13,17H,6-7,10-11,14H2,(H,28,29)(H2,23,24,27)
InChIKeyPYKYWHDZOMEDIR-UHFFFAOYSA-N
XLogP3.51
TPSA98.97 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.45
LogP ≤ 53.51
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

1-[4-[1-(2-hydroxy-2-methylpropanoyl)piperidin-4-yl]phenyl]-3-(imidazo[1,2-a]pyridin-7-ylmethyl)urea
CID 72700633
1-(imidazo[1,2-a]pyridin-7-ylmethyl)-3-[4-[1-(isoquinoline-4-carbonyl)piperidin-4-yl]phenyl]urea
CID 72699869
N-[4-(imidazo[1,2-a]pyridin-7-ylmethylcarbamoylamino)phenyl]-4-methylpentanamide
CID 72699350
N-[4-(imidazo[1,2-a]pyridin-7-ylmethylcarbamoylamino)phenyl]-2-propan-2-yloxyacetamide
CID 72699440
1-(imidazo[1,2-a]pyridin-7-ylmethyl)-3-[[4-(propylamino)phenyl]methyl]urea
CID 119049609
1-(imidazo[1,2-a]pyridin-7-ylmethyl)-3-(3-methyl-1,2-oxazol-5-yl)urea
CID 167772547
3-amino-N-(imidazo[1,2-a]pyridin-7-ylmethyl)cyclopentane-1-carboxamide
CID 119889498
3-amino-N-(imidazo[1,2-a]pyridin-7-ylmethyl)propanamide
CID 119889538
N-(imidazo[1,2-a]pyridin-7-ylmethyl)-4-(1-propan-2-ylsulfonylazetidin-3-yl)benzamide
CID 86701965
1-[(2S)-1-(imidazo[1,2-a]pyridin-7-ylmethylamino)-1-oxopropan-2-yl]-4-phenylpyrrolidine-2-carboxamide
CID 153286623
N-(imidazo[1,2-a]pyridin-7-ylmethyl)-5-piperidin-4-ylthiophene-2-carboxamide
CID 86701970
1-[[4-(2,3-dihydroindol-1-ylmethyl)phenyl]methyl]-3-imidazo[1,2-a]pyridin-7-ylurea
CID 167754978

Frequently Asked Questions

What is the IUPAC name of 4-[4-(imidazo[1,2-a]pyridin-7-ylmethylcarbamoylamino)phenyl]piperidine-1-carboxylic acid?
The IUPAC name of 4-[4-(imidazo[1,2-a]pyridin-7-ylmethylcarbamoylamino)phenyl]piperidine-1-carboxylic acid (CID 90015798) is 4-[4-(imidazo[1,2-a]pyridin-7-ylmethylcarbamoylamino)phenyl]piperidine-1-carboxylic acid.
What is the SMILES notation for 4-[4-(imidazo[1,2-a]pyridin-7-ylmethylcarbamoylamino)phenyl]piperidine-1-carboxylic acid?
The canonical SMILES for 4-[4-(imidazo[1,2-a]pyridin-7-ylmethylcarbamoylamino)phenyl]piperidine-1-carboxylic acid is O=C(NCc1ccn2ccnc2c1)Nc1ccc(C2CCN(C(=O)O)CC2)cc1.
What is the InChIKey of 4-[4-(imidazo[1,2-a]pyridin-7-ylmethylcarbamoylamino)phenyl]piperidine-1-carboxylic acid?
The InChIKey is PYKYWHDZOMEDIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23N5O3/c27-20(23-14-15-5-9-25-12-8-22-19(25)13-15)24-18-3-1-16(2-4-18)17-6-10-26(11-7-17)21(28)29/h1-5,8-9,12-13,17H,6-7,10-11,14H2,(H,28,29)(H2,23,24,27).
What are the key properties of 4-[4-(imidazo[1,2-a]pyridin-7-ylmethylcarbamoylamino)phenyl]piperidine-1-carboxylic acid?
4-[4-(imidazo[1,2-a]pyridin-7-ylmethylcarbamoylamino)phenyl]piperidine-1-carboxylic acid has a molecular weight of 393.45 g/mol, XLogP of 3.51, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(imidazo[1,2-a]pyridin-7-ylmethylcarbamoylamino)phenyl]piperidine-1-carboxylic acid is sourced from PubChem (CID 90015798), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).