(3R)-3-[[3-[4-(cyclopropylcarbamoyl)-3-(difluoromethoxy)-5-methoxyphenyl]imidazo[1,2-a]pyridin-7-yl]oxymethyl]piperidine-1-carboxylic acid

C26H28F2N4O6 — CID 146273225

IUPAC(3R)-3-[[3-[4-(cyclopropylcarbamoyl)-3-(difluoromethoxy)-5-methoxyphenyl]imidazo[1,2-a]pyridin-7-yl]oxymethyl]piperidine-1-carboxylic acid
SMILESCOc1cc(-c2cnc3cc(OC[C@@H]4CCCN(C(=O)O)C4)ccn23)cc(OC(F)F)c1C(=O)NC1CC1
InChIInChI=1S/C26H28F2N4O6/c1-36-20-9-16(10-21(38-25(27)28)23(20)24(33)30-17-4-5-17)19-12-29-22-11-18(6-8-32(19)22)37-14-15-3-2-7-31(13-15)26(34)35/h6,8-12,15,17,25H,2-5,7,13-14H2,1H3,(H,30,33)(H,34,35)/t15-/m1/s1
InChIKeyFKRZECVNNZLEPJ-OAHLLOKOSA-N
MW530.53 g/mol
LogP4.27
Rot. Bonds9

About (3R)-3-[[3-[4-(cyclopropylcarbamoyl)-3-(difluoromethoxy)-5-methoxyphenyl]imidazo[1,2-a]pyridin-7-yl]oxymethyl]piperidine-1-carboxylic acid

(3R)-3-[[3-[4-(cyclopropylcarbamoyl)-3-(difluoromethoxy)-5-methoxyphenyl]imidazo[1,2-a]pyridin-7-yl]oxymethyl]piperidine-1-carboxylic acid (PubChem CID 146273225) has the molecular formula C26H28F2N4O6 and a molecular weight of 530.53 g/mol. Its IUPAC name is (3R)-3-[[3-[4-(cyclopropylcarbamoyl)-3-(difluoromethoxy)-5-methoxyphenyl]imidazo[1,2-a]pyridin-7-yl]oxymethyl]piperidine-1-carboxylic acid.

Molecular Properties

Compound Name(3R)-3-[[3-[4-(cyclopropylcarbamoyl)-3-(difluoromethoxy)-5-methoxyphenyl]imidazo[1,2-a]pyridin-7-yl]oxymethyl]piperidine-1-carboxylic acid
PubChem CID146273225
Molecular FormulaC26H28F2N4O6
Molecular Weight530.53 g/mol
Exact Mass530.20
IUPAC Name(3R)-3-[[3-[4-(cyclopropylcarbamoyl)-3-(difluoromethoxy)-5-methoxyphenyl]imidazo[1,2-a]pyridin-7-yl]oxymethyl]piperidine-1-carboxylic acid
SMILESCOc1cc(-c2cnc3cc(OC[C@@H]4CCCN(C(=O)O)C4)ccn23)cc(OC(F)F)c1C(=O)NC1CC1
InChIInChI=1S/C26H28F2N4O6/c1-36-20-9-16(10-21(38-25(27)28)23(20)24(33)30-17-4-5-17)19-12-29-22-11-18(6-8-32(19)22)37-14-15-3-2-7-31(13-15)26(34)35/h6,8-12,15,17,25H,2-5,7,13-14H2,1H3,(H,30,33)(H,34,35)/t15-/m1/s1
InChIKeyFKRZECVNNZLEPJ-OAHLLOKOSA-N
XLogP4.27
TPSA114.63 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500530.53
LogP ≤ 54.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze (3R)-3-[[3-[4-(cyclopropylcarbamoyl)-3-(difluoromethoxy)-5-methoxyphenyl]imidazo[1,2-a]pyridin-7-yl]oxymethyl]piperidine-1-carboxylic acid with MolForge

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Frequently Asked Questions

What is the IUPAC name of (3R)-3-[[3-[4-(cyclopropylcarbamoyl)-3-(difluoromethoxy)-5-methoxyphenyl]imidazo[1,2-a]pyridin-7-yl]oxymethyl]piperidine-1-carboxylic acid?
The IUPAC name of (3R)-3-[[3-[4-(cyclopropylcarbamoyl)-3-(difluoromethoxy)-5-methoxyphenyl]imidazo[1,2-a]pyridin-7-yl]oxymethyl]piperidine-1-carboxylic acid (CID 146273225) is (3R)-3-[[3-[4-(cyclopropylcarbamoyl)-3-(difluoromethoxy)-5-methoxyphenyl]imidazo[1,2-a]pyridin-7-yl]oxymethyl]piperidine-1-carboxylic acid.
What is the SMILES notation for (3R)-3-[[3-[4-(cyclopropylcarbamoyl)-3-(difluoromethoxy)-5-methoxyphenyl]imidazo[1,2-a]pyridin-7-yl]oxymethyl]piperidine-1-carboxylic acid?
The canonical SMILES for (3R)-3-[[3-[4-(cyclopropylcarbamoyl)-3-(difluoromethoxy)-5-methoxyphenyl]imidazo[1,2-a]pyridin-7-yl]oxymethyl]piperidine-1-carboxylic acid is COc1cc(-c2cnc3cc(OC[C@@H]4CCCN(C(=O)O)C4)ccn23)cc(OC(F)F)c1C(=O)NC1CC1.
What is the InChIKey of (3R)-3-[[3-[4-(cyclopropylcarbamoyl)-3-(difluoromethoxy)-5-methoxyphenyl]imidazo[1,2-a]pyridin-7-yl]oxymethyl]piperidine-1-carboxylic acid?
The InChIKey is FKRZECVNNZLEPJ-OAHLLOKOSA-N. The full InChI is InChI=1S/C26H28F2N4O6/c1-36-20-9-16(10-21(38-25(27)28)23(20)24(33)30-17-4-5-17)19-12-29-22-11-18(6-8-32(19)22)37-14-15-3-2-7-31(13-15)26(34)35/h6,8-12,15,17,25H,2-5,7,13-14H2,1H3,(H,30,33)(H,34,35)/t15-/m1/s1.
What are the key properties of (3R)-3-[[3-[4-(cyclopropylcarbamoyl)-3-(difluoromethoxy)-5-methoxyphenyl]imidazo[1,2-a]pyridin-7-yl]oxymethyl]piperidine-1-carboxylic acid?
(3R)-3-[[3-[4-(cyclopropylcarbamoyl)-3-(difluoromethoxy)-5-methoxyphenyl]imidazo[1,2-a]pyridin-7-yl]oxymethyl]piperidine-1-carboxylic acid has a molecular weight of 530.53 g/mol, XLogP of 4.27, 9 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-[[3-[4-(cyclopropylcarbamoyl)-3-(difluoromethoxy)-5-methoxyphenyl]imidazo[1,2-a]pyridin-7-yl]oxymethyl]piperidine-1-carboxylic acid is sourced from PubChem (CID 146273225), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).