N-cyclopropyl-2-(difluoromethoxy)-6-methoxy-4-[7-(1-methylpyrazol-4-yl)-6-phenylmethoxyimidazo[1,2-a]pyridin-3-yl]benzamide

C30H27F2N5O4 — CID 150486402

IUPACN-cyclopropyl-2-(difluoromethoxy)-6-methoxy-4-[7-(1-methylpyrazol-4-yl)-6-phenylmethoxyimidazo[1,2-a]pyridin-3-yl]benzamide
SMILESCOc1cc(-c2cnc3cc(-c4cnn(C)c4)c(OCc4ccccc4)cn23)cc(OC(F)F)c1C(=O)NC1CC1
InChIInChI=1S/C30H27F2N5O4/c1-36-15-20(13-34-36)22-12-27-33-14-23(37(27)16-26(22)40-17-18-6-4-3-5-7-18)19-10-24(39-2)28(25(11-19)41-30(31)32)29(38)35-21-8-9-21/h3-7,10-16,21,30H,8-9,17H2,1-2H3,(H,35,38)
InChIKeyHUWQTCMUPBRNQU-UHFFFAOYSA-N
MW559.57 g/mol
LogP5.48
Rot. Bonds10

About N-cyclopropyl-2-(difluoromethoxy)-6-methoxy-4-[7-(1-methylpyrazol-4-yl)-6-phenylmethoxyimidazo[1,2-a]pyridin-3-yl]benzamide

N-cyclopropyl-2-(difluoromethoxy)-6-methoxy-4-[7-(1-methylpyrazol-4-yl)-6-phenylmethoxyimidazo[1,2-a]pyridin-3-yl]benzamide (PubChem CID 150486402) has the molecular formula C30H27F2N5O4 and a molecular weight of 559.57 g/mol. Its IUPAC name is N-cyclopropyl-2-(difluoromethoxy)-6-methoxy-4-[7-(1-methylpyrazol-4-yl)-6-phenylmethoxyimidazo[1,2-a]pyridin-3-yl]benzamide.

Molecular Properties

Compound NameN-cyclopropyl-2-(difluoromethoxy)-6-methoxy-4-[7-(1-methylpyrazol-4-yl)-6-phenylmethoxyimidazo[1,2-a]pyridin-3-yl]benzamide
PubChem CID150486402
Molecular FormulaC30H27F2N5O4
Molecular Weight559.57 g/mol
Exact Mass559.20
IUPAC NameN-cyclopropyl-2-(difluoromethoxy)-6-methoxy-4-[7-(1-methylpyrazol-4-yl)-6-phenylmethoxyimidazo[1,2-a]pyridin-3-yl]benzamide
SMILESCOc1cc(-c2cnc3cc(-c4cnn(C)c4)c(OCc4ccccc4)cn23)cc(OC(F)F)c1C(=O)NC1CC1
InChIInChI=1S/C30H27F2N5O4/c1-36-15-20(13-34-36)22-12-27-33-14-23(37(27)16-26(22)40-17-18-6-4-3-5-7-18)19-10-24(39-2)28(25(11-19)41-30(31)32)29(38)35-21-8-9-21/h3-7,10-16,21,30H,8-9,17H2,1-2H3,(H,35,38)
InChIKeyHUWQTCMUPBRNQU-UHFFFAOYSA-N
XLogP5.48
TPSA91.91 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds10
Heavy Atoms41
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500559.57
LogP ≤ 55.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-2-(difluoromethoxy)-6-methoxy-4-[7-(1-methylpyrazol-4-yl)-6-phenylmethoxyimidazo[1,2-a]pyridin-3-yl]benzamide?
The IUPAC name of N-cyclopropyl-2-(difluoromethoxy)-6-methoxy-4-[7-(1-methylpyrazol-4-yl)-6-phenylmethoxyimidazo[1,2-a]pyridin-3-yl]benzamide (CID 150486402) is N-cyclopropyl-2-(difluoromethoxy)-6-methoxy-4-[7-(1-methylpyrazol-4-yl)-6-phenylmethoxyimidazo[1,2-a]pyridin-3-yl]benzamide.
What is the SMILES notation for N-cyclopropyl-2-(difluoromethoxy)-6-methoxy-4-[7-(1-methylpyrazol-4-yl)-6-phenylmethoxyimidazo[1,2-a]pyridin-3-yl]benzamide?
The canonical SMILES for N-cyclopropyl-2-(difluoromethoxy)-6-methoxy-4-[7-(1-methylpyrazol-4-yl)-6-phenylmethoxyimidazo[1,2-a]pyridin-3-yl]benzamide is COc1cc(-c2cnc3cc(-c4cnn(C)c4)c(OCc4ccccc4)cn23)cc(OC(F)F)c1C(=O)NC1CC1.
What is the InChIKey of N-cyclopropyl-2-(difluoromethoxy)-6-methoxy-4-[7-(1-methylpyrazol-4-yl)-6-phenylmethoxyimidazo[1,2-a]pyridin-3-yl]benzamide?
The InChIKey is HUWQTCMUPBRNQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H27F2N5O4/c1-36-15-20(13-34-36)22-12-27-33-14-23(37(27)16-26(22)40-17-18-6-4-3-5-7-18)19-10-24(39-2)28(25(11-19)41-30(31)32)29(38)35-21-8-9-21/h3-7,10-16,21,30H,8-9,17H2,1-2H3,(H,35,38).
What are the key properties of N-cyclopropyl-2-(difluoromethoxy)-6-methoxy-4-[7-(1-methylpyrazol-4-yl)-6-phenylmethoxyimidazo[1,2-a]pyridin-3-yl]benzamide?
N-cyclopropyl-2-(difluoromethoxy)-6-methoxy-4-[7-(1-methylpyrazol-4-yl)-6-phenylmethoxyimidazo[1,2-a]pyridin-3-yl]benzamide has a molecular weight of 559.57 g/mol, XLogP of 5.48, 10 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-2-(difluoromethoxy)-6-methoxy-4-[7-(1-methylpyrazol-4-yl)-6-phenylmethoxyimidazo[1,2-a]pyridin-3-yl]benzamide is sourced from PubChem (CID 150486402), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).