N-(6-amino-2,2-difluorocyclohexyl)-4-but-1-enyl-5-pyrazolo[1,5-a]pyridin-3-yl-3H-pyrrole-2-carboxamide

C22H25F2N5O — CID 91181312

IUPACN-(6-amino-2,2-difluorocyclohexyl)-4-but-1-enyl-5-pyrazolo[1,5-a]pyridin-3-yl-3H-pyrrole-2-carboxamide
SMILESCCC=CC1=C(c2cnn3ccccc23)N=C(C(=O)NC2C(N)CCCC2(F)F)C1
InChIInChI=1S/C22H25F2N5O/c1-2-3-7-14-12-17(21(30)28-20-16(25)8-6-10-22(20,23)24)27-19(14)15-13-26-29-11-5-4-9-18(15)29/h3-5,7,9,11,13,16,20H,2,6,8,10,12,25H2,1H3,(H,28,30)
InChIKeyUYZJRAZDRVHBDS-UHFFFAOYSA-N
MW413.47 g/mol
LogP3.49
Rot. Bonds5

About N-(6-amino-2,2-difluorocyclohexyl)-4-but-1-enyl-5-pyrazolo[1,5-a]pyridin-3-yl-3H-pyrrole-2-carboxamide

N-(6-amino-2,2-difluorocyclohexyl)-4-but-1-enyl-5-pyrazolo[1,5-a]pyridin-3-yl-3H-pyrrole-2-carboxamide (PubChem CID 91181312) has the molecular formula C22H25F2N5O and a molecular weight of 413.47 g/mol. Its IUPAC name is N-(6-amino-2,2-difluorocyclohexyl)-4-but-1-enyl-5-pyrazolo[1,5-a]pyridin-3-yl-3H-pyrrole-2-carboxamide.

Molecular Properties

Compound NameN-(6-amino-2,2-difluorocyclohexyl)-4-but-1-enyl-5-pyrazolo[1,5-a]pyridin-3-yl-3H-pyrrole-2-carboxamide
PubChem CID91181312
Molecular FormulaC22H25F2N5O
Molecular Weight413.47 g/mol
Exact Mass413.20
IUPAC NameN-(6-amino-2,2-difluorocyclohexyl)-4-but-1-enyl-5-pyrazolo[1,5-a]pyridin-3-yl-3H-pyrrole-2-carboxamide
SMILESCCC=CC1=C(c2cnn3ccccc23)N=C(C(=O)NC2C(N)CCCC2(F)F)C1
InChIInChI=1S/C22H25F2N5O/c1-2-3-7-14-12-17(21(30)28-20-16(25)8-6-10-22(20,23)24)27-19(14)15-13-26-29-11-5-4-9-18(15)29/h3-5,7,9,11,13,16,20H,2,6,8,10,12,25H2,1H3,(H,28,30)
InChIKeyUYZJRAZDRVHBDS-UHFFFAOYSA-N
XLogP3.49
TPSA84.78 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500413.47
LogP ≤ 53.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(1R,6S)-6-amino-2,2-difluorocyclohexyl]-5-methyl-4-pyrazolo[1,5-a]pyridin-3-yl-1,3-thiazole-2-carboxamide
CID 58385870
N-[(1R,6R)-6-amino-2,2-difluorocyclohexyl]-5-chloro-4-pyrazolo[1,5-a]pyridin-3-ylthiophene-2-carboxamide
CID 58386003
N-[(1R,6S)-6-amino-2,2-difluorocyclohexyl]-5-prop-1-en-2-yl-4-pyrazolo[1,5-a]pyridin-3-yl-1,3-thiazole-2-carboxamide
CID 58385932
N-[(1R,6R)-6-amino-2,2-difluorocyclohexyl]-5-(2-cyclopropylethynyl)-4-pyrazolo[1,5-a]pyridin-3-yl-1,3-thiazole-2-carboxamide
CID 58385875
2-[(1R,6R)-6-amino-2,2-difluorocyclohexyl]-1-(5-chloro-4-pyrazolo[1,5-a]pyridin-3-yl-1,3-thiazol-2-yl)ethanone
CID 58385896
N-(6-amino-2,2-difluorocyclohexyl)-5-chloro-4-(5-methylpyrazolo[1,5-a]pyridin-3-yl)-1,3-thiazole-2-carboxamide
CID 75075572
N-(6-amino-2,2-difluorocyclohexyl)-4-(5-aminopyrazolo[1,5-a]pyridin-3-yl)-1,3-thiazole-2-carboxamide
CID 91441255
N-(6-amino-2,2-difluorocyclohexyl)-4-imidazo[1,2-a]pyridin-3-yl-5-methylthiophene-2-carboxamide
CID 46842486
N-[(1R,6R)-6-amino-2,2-difluorocyclohexyl]-4-(6-chloropyrazolo[1,5-a]pyridin-3-yl)-5-methyl-1,3-thiazole-2-carboxamide
CID 67349719
tert-butyl N-[2-[(5-bromo-4-pyrazolo[1,5-a]pyridin-3-yl-1,3-thiazole-2-carbonyl)amino]-3,3-difluorocyclohexyl]carbamate
CID 162559287
N-[(1R,6S)-6-amino-2,2-difluorocyclohexyl]-4-(5-cyanopyrazolo[1,5-a]pyridin-3-yl)-1,3-thiazole-2-carboxamide
CID 44815291
N-(6-amino-2,2-difluorocyclohexyl)-5-chloro-4-(6-iodopyrazolo[1,5-a]pyridin-3-yl)-1,3-thiazole-2-carboxamide
CID 75075568

Frequently Asked Questions

What is the IUPAC name of N-(6-amino-2,2-difluorocyclohexyl)-4-but-1-enyl-5-pyrazolo[1,5-a]pyridin-3-yl-3H-pyrrole-2-carboxamide?
The IUPAC name of N-(6-amino-2,2-difluorocyclohexyl)-4-but-1-enyl-5-pyrazolo[1,5-a]pyridin-3-yl-3H-pyrrole-2-carboxamide (CID 91181312) is N-(6-amino-2,2-difluorocyclohexyl)-4-but-1-enyl-5-pyrazolo[1,5-a]pyridin-3-yl-3H-pyrrole-2-carboxamide.
What is the SMILES notation for N-(6-amino-2,2-difluorocyclohexyl)-4-but-1-enyl-5-pyrazolo[1,5-a]pyridin-3-yl-3H-pyrrole-2-carboxamide?
The canonical SMILES for N-(6-amino-2,2-difluorocyclohexyl)-4-but-1-enyl-5-pyrazolo[1,5-a]pyridin-3-yl-3H-pyrrole-2-carboxamide is CCC=CC1=C(c2cnn3ccccc23)N=C(C(=O)NC2C(N)CCCC2(F)F)C1.
What is the InChIKey of N-(6-amino-2,2-difluorocyclohexyl)-4-but-1-enyl-5-pyrazolo[1,5-a]pyridin-3-yl-3H-pyrrole-2-carboxamide?
The InChIKey is UYZJRAZDRVHBDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25F2N5O/c1-2-3-7-14-12-17(21(30)28-20-16(25)8-6-10-22(20,23)24)27-19(14)15-13-26-29-11-5-4-9-18(15)29/h3-5,7,9,11,13,16,20H,2,6,8,10,12,25H2,1H3,(H,28,30).
What are the key properties of N-(6-amino-2,2-difluorocyclohexyl)-4-but-1-enyl-5-pyrazolo[1,5-a]pyridin-3-yl-3H-pyrrole-2-carboxamide?
N-(6-amino-2,2-difluorocyclohexyl)-4-but-1-enyl-5-pyrazolo[1,5-a]pyridin-3-yl-3H-pyrrole-2-carboxamide has a molecular weight of 413.47 g/mol, XLogP of 3.49, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-amino-2,2-difluorocyclohexyl)-4-but-1-enyl-5-pyrazolo[1,5-a]pyridin-3-yl-3H-pyrrole-2-carboxamide is sourced from PubChem (CID 91181312), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).