N-[6-[4-(2,2-difluoroethyl)piperazin-1-yl]-2,2-dimethyl-3H-furo[2,3-b]pyridin-5-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide

C22H25F2N7O2 — CID 137347552

IUPACN-[6-[4-(2,2-difluoroethyl)piperazin-1-yl]-2,2-dimethyl-3H-furo[2,3-b]pyridin-5-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESCC1(C)Cc2cc(NC(=O)c3cnn4cccnc34)c(N3CCN(CC(F)F)CC3)nc2O1
InChIInChI=1S/C22H25F2N7O2/c1-22(2)11-14-10-16(27-20(32)15-12-26-31-5-3-4-25-18(15)31)19(28-21(14)33-22)30-8-6-29(7-9-30)13-17(23)24/h3-5,10,12,17H,6-9,11,13H2,1-2H3,(H,27,32)
InChIKeyLYKBGSIWEOVWQT-UHFFFAOYSA-N
MW457.49 g/mol
LogP2.48
Rot. Bonds5

About N-[6-[4-(2,2-difluoroethyl)piperazin-1-yl]-2,2-dimethyl-3H-furo[2,3-b]pyridin-5-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide

N-[6-[4-(2,2-difluoroethyl)piperazin-1-yl]-2,2-dimethyl-3H-furo[2,3-b]pyridin-5-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide (PubChem CID 137347552) has the molecular formula C22H25F2N7O2 and a molecular weight of 457.49 g/mol. Its IUPAC name is N-[6-[4-(2,2-difluoroethyl)piperazin-1-yl]-2,2-dimethyl-3H-furo[2,3-b]pyridin-5-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide.

Molecular Properties

Compound NameN-[6-[4-(2,2-difluoroethyl)piperazin-1-yl]-2,2-dimethyl-3H-furo[2,3-b]pyridin-5-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
PubChem CID137347552
Molecular FormulaC22H25F2N7O2
Molecular Weight457.49 g/mol
Exact Mass457.20
IUPAC NameN-[6-[4-(2,2-difluoroethyl)piperazin-1-yl]-2,2-dimethyl-3H-furo[2,3-b]pyridin-5-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESCC1(C)Cc2cc(NC(=O)c3cnn4cccnc34)c(N3CCN(CC(F)F)CC3)nc2O1
InChIInChI=1S/C22H25F2N7O2/c1-22(2)11-14-10-16(27-20(32)15-12-26-31-5-3-4-25-18(15)31)19(28-21(14)33-22)30-8-6-29(7-9-30)13-17(23)24/h3-5,10,12,17H,6-9,11,13H2,1-2H3,(H,27,32)
InChIKeyLYKBGSIWEOVWQT-UHFFFAOYSA-N
XLogP2.48
TPSA87.89 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500457.49
LogP ≤ 52.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze N-[6-[4-(2,2-difluoroethyl)piperazin-1-yl]-2,2-dimethyl-3H-furo[2,3-b]pyridin-5-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-[6-[4-(2,2-difluoroethyl)piperazin-1-yl]-2,2-dimethyl-3H-furo[2,3-b]pyridin-5-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The IUPAC name of N-[6-[4-(2,2-difluoroethyl)piperazin-1-yl]-2,2-dimethyl-3H-furo[2,3-b]pyridin-5-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide (CID 137347552) is N-[6-[4-(2,2-difluoroethyl)piperazin-1-yl]-2,2-dimethyl-3H-furo[2,3-b]pyridin-5-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide.
What is the SMILES notation for N-[6-[4-(2,2-difluoroethyl)piperazin-1-yl]-2,2-dimethyl-3H-furo[2,3-b]pyridin-5-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The canonical SMILES for N-[6-[4-(2,2-difluoroethyl)piperazin-1-yl]-2,2-dimethyl-3H-furo[2,3-b]pyridin-5-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide is CC1(C)Cc2cc(NC(=O)c3cnn4cccnc34)c(N3CCN(CC(F)F)CC3)nc2O1.
What is the InChIKey of N-[6-[4-(2,2-difluoroethyl)piperazin-1-yl]-2,2-dimethyl-3H-furo[2,3-b]pyridin-5-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The InChIKey is LYKBGSIWEOVWQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25F2N7O2/c1-22(2)11-14-10-16(27-20(32)15-12-26-31-5-3-4-25-18(15)31)19(28-21(14)33-22)30-8-6-29(7-9-30)13-17(23)24/h3-5,10,12,17H,6-9,11,13H2,1-2H3,(H,27,32).
What are the key properties of N-[6-[4-(2,2-difluoroethyl)piperazin-1-yl]-2,2-dimethyl-3H-furo[2,3-b]pyridin-5-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide?
N-[6-[4-(2,2-difluoroethyl)piperazin-1-yl]-2,2-dimethyl-3H-furo[2,3-b]pyridin-5-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide has a molecular weight of 457.49 g/mol, XLogP of 2.48, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-[4-(2,2-difluoroethyl)piperazin-1-yl]-2,2-dimethyl-3H-furo[2,3-b]pyridin-5-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide is sourced from PubChem (CID 137347552), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).