4-[6-[4-(cyclopropanecarbonyl)piperazin-1-yl]pyrazolo[1,5-a]pyridin-3-yl]-N-cyclopropyl-2-(difluoromethoxy)-6-methoxybenzamide

C27H29F2N5O4 — CID 166064399

IUPAC4-[6-[4-(cyclopropanecarbonyl)piperazin-1-yl]pyrazolo[1,5-a]pyridin-3-yl]-N-cyclopropyl-2-(difluoromethoxy)-6-methoxybenzamide
SMILESCOc1cc(-c2cnn3cc(N4CCN(C(=O)C5CC5)CC4)ccc23)cc(OC(F)F)c1C(=O)NC1CC1
InChIInChI=1S/C27H29F2N5O4/c1-37-22-12-17(13-23(38-27(28)29)24(22)25(35)31-18-4-5-18)20-14-30-34-15-19(6-7-21(20)34)32-8-10-33(11-9-32)26(36)16-2-3-16/h6-7,12-16,18,27H,2-5,8-11H2,1H3,(H,31,35)
InChIKeyDTTIZSWEPZQVAX-UHFFFAOYSA-N
MW525.56 g/mol
LogP3.56
Rot. Bonds8

About 4-[6-[4-(cyclopropanecarbonyl)piperazin-1-yl]pyrazolo[1,5-a]pyridin-3-yl]-N-cyclopropyl-2-(difluoromethoxy)-6-methoxybenzamide

4-[6-[4-(cyclopropanecarbonyl)piperazin-1-yl]pyrazolo[1,5-a]pyridin-3-yl]-N-cyclopropyl-2-(difluoromethoxy)-6-methoxybenzamide (PubChem CID 166064399) has the molecular formula C27H29F2N5O4 and a molecular weight of 525.56 g/mol. Its IUPAC name is 4-[6-[4-(cyclopropanecarbonyl)piperazin-1-yl]pyrazolo[1,5-a]pyridin-3-yl]-N-cyclopropyl-2-(difluoromethoxy)-6-methoxybenzamide.

Molecular Properties

Compound Name4-[6-[4-(cyclopropanecarbonyl)piperazin-1-yl]pyrazolo[1,5-a]pyridin-3-yl]-N-cyclopropyl-2-(difluoromethoxy)-6-methoxybenzamide
PubChem CID166064399
Molecular FormulaC27H29F2N5O4
Molecular Weight525.56 g/mol
Exact Mass525.22
IUPAC Name4-[6-[4-(cyclopropanecarbonyl)piperazin-1-yl]pyrazolo[1,5-a]pyridin-3-yl]-N-cyclopropyl-2-(difluoromethoxy)-6-methoxybenzamide
SMILESCOc1cc(-c2cnn3cc(N4CCN(C(=O)C5CC5)CC4)ccc23)cc(OC(F)F)c1C(=O)NC1CC1
InChIInChI=1S/C27H29F2N5O4/c1-37-22-12-17(13-23(38-27(28)29)24(22)25(35)31-18-4-5-18)20-14-30-34-15-19(6-7-21(20)34)32-8-10-33(11-9-32)26(36)16-2-3-16/h6-7,12-16,18,27H,2-5,8-11H2,1H3,(H,31,35)
InChIKeyDTTIZSWEPZQVAX-UHFFFAOYSA-N
XLogP3.56
TPSA88.41 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500525.56
LogP ≤ 53.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 4-[6-[4-(cyclopropanecarbonyl)piperazin-1-yl]pyrazolo[1,5-a]pyridin-3-yl]-N-cyclopropyl-2-(difluoromethoxy)-6-methoxybenzamide?
The IUPAC name of 4-[6-[4-(cyclopropanecarbonyl)piperazin-1-yl]pyrazolo[1,5-a]pyridin-3-yl]-N-cyclopropyl-2-(difluoromethoxy)-6-methoxybenzamide (CID 166064399) is 4-[6-[4-(cyclopropanecarbonyl)piperazin-1-yl]pyrazolo[1,5-a]pyridin-3-yl]-N-cyclopropyl-2-(difluoromethoxy)-6-methoxybenzamide.
What is the SMILES notation for 4-[6-[4-(cyclopropanecarbonyl)piperazin-1-yl]pyrazolo[1,5-a]pyridin-3-yl]-N-cyclopropyl-2-(difluoromethoxy)-6-methoxybenzamide?
The canonical SMILES for 4-[6-[4-(cyclopropanecarbonyl)piperazin-1-yl]pyrazolo[1,5-a]pyridin-3-yl]-N-cyclopropyl-2-(difluoromethoxy)-6-methoxybenzamide is COc1cc(-c2cnn3cc(N4CCN(C(=O)C5CC5)CC4)ccc23)cc(OC(F)F)c1C(=O)NC1CC1.
What is the InChIKey of 4-[6-[4-(cyclopropanecarbonyl)piperazin-1-yl]pyrazolo[1,5-a]pyridin-3-yl]-N-cyclopropyl-2-(difluoromethoxy)-6-methoxybenzamide?
The InChIKey is DTTIZSWEPZQVAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H29F2N5O4/c1-37-22-12-17(13-23(38-27(28)29)24(22)25(35)31-18-4-5-18)20-14-30-34-15-19(6-7-21(20)34)32-8-10-33(11-9-32)26(36)16-2-3-16/h6-7,12-16,18,27H,2-5,8-11H2,1H3,(H,31,35).
What are the key properties of 4-[6-[4-(cyclopropanecarbonyl)piperazin-1-yl]pyrazolo[1,5-a]pyridin-3-yl]-N-cyclopropyl-2-(difluoromethoxy)-6-methoxybenzamide?
4-[6-[4-(cyclopropanecarbonyl)piperazin-1-yl]pyrazolo[1,5-a]pyridin-3-yl]-N-cyclopropyl-2-(difluoromethoxy)-6-methoxybenzamide has a molecular weight of 525.56 g/mol, XLogP of 3.56, 8 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[6-[4-(cyclopropanecarbonyl)piperazin-1-yl]pyrazolo[1,5-a]pyridin-3-yl]-N-cyclopropyl-2-(difluoromethoxy)-6-methoxybenzamide is sourced from PubChem (CID 166064399), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).