N-[1-[4-(1,1-difluoroethyl)pyrimidin-2-yl]-3-(2-oxa-6-azaspiro[3.3]heptan-6-yl)pyrazolo[4,3-c]pyridin-6-yl]acetamide

C19H19F2N7O2 — CID 170577225

IUPACN-[1-[4-(1,1-difluoroethyl)pyrimidin-2-yl]-3-(2-oxa-6-azaspiro[3.3]heptan-6-yl)pyrazolo[4,3-c]pyridin-6-yl]acetamide
SMILESCC(=O)Nc1cc2c(cn1)c(N1CC3(COC3)C1)nn2-c1nccc(C(C)(F)F)n1
InChIInChI=1S/C19H19F2N7O2/c1-11(29)24-15-5-13-12(6-23-15)16(27-7-19(8-27)9-30-10-19)26-28(13)17-22-4-3-14(25-17)18(2,20)21/h3-6H,7-10H2,1-2H3,(H,23,24,29)
InChIKeyWELGKEAVINFPNB-UHFFFAOYSA-N
MW415.40 g/mol
LogP2.12
Rot. Bonds4

About N-[1-[4-(1,1-difluoroethyl)pyrimidin-2-yl]-3-(2-oxa-6-azaspiro[3.3]heptan-6-yl)pyrazolo[4,3-c]pyridin-6-yl]acetamide

N-[1-[4-(1,1-difluoroethyl)pyrimidin-2-yl]-3-(2-oxa-6-azaspiro[3.3]heptan-6-yl)pyrazolo[4,3-c]pyridin-6-yl]acetamide (PubChem CID 170577225) has the molecular formula C19H19F2N7O2 and a molecular weight of 415.40 g/mol. Its IUPAC name is N-[1-[4-(1,1-difluoroethyl)pyrimidin-2-yl]-3-(2-oxa-6-azaspiro[3.3]heptan-6-yl)pyrazolo[4,3-c]pyridin-6-yl]acetamide.

Molecular Properties

Compound NameN-[1-[4-(1,1-difluoroethyl)pyrimidin-2-yl]-3-(2-oxa-6-azaspiro[3.3]heptan-6-yl)pyrazolo[4,3-c]pyridin-6-yl]acetamide
PubChem CID170577225
Molecular FormulaC19H19F2N7O2
Molecular Weight415.40 g/mol
Exact Mass415.16
IUPAC NameN-[1-[4-(1,1-difluoroethyl)pyrimidin-2-yl]-3-(2-oxa-6-azaspiro[3.3]heptan-6-yl)pyrazolo[4,3-c]pyridin-6-yl]acetamide
SMILESCC(=O)Nc1cc2c(cn1)c(N1CC3(COC3)C1)nn2-c1nccc(C(C)(F)F)n1
InChIInChI=1S/C19H19F2N7O2/c1-11(29)24-15-5-13-12(6-23-15)16(27-7-19(8-27)9-30-10-19)26-28(13)17-22-4-3-14(25-17)18(2,20)21/h3-6H,7-10H2,1-2H3,(H,23,24,29)
InChIKeyWELGKEAVINFPNB-UHFFFAOYSA-N
XLogP2.12
TPSA98.06 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.40
LogP ≤ 52.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of N-[1-[4-(1,1-difluoroethyl)pyrimidin-2-yl]-3-(2-oxa-6-azaspiro[3.3]heptan-6-yl)pyrazolo[4,3-c]pyridin-6-yl]acetamide?
The IUPAC name of N-[1-[4-(1,1-difluoroethyl)pyrimidin-2-yl]-3-(2-oxa-6-azaspiro[3.3]heptan-6-yl)pyrazolo[4,3-c]pyridin-6-yl]acetamide (CID 170577225) is N-[1-[4-(1,1-difluoroethyl)pyrimidin-2-yl]-3-(2-oxa-6-azaspiro[3.3]heptan-6-yl)pyrazolo[4,3-c]pyridin-6-yl]acetamide.
What is the SMILES notation for N-[1-[4-(1,1-difluoroethyl)pyrimidin-2-yl]-3-(2-oxa-6-azaspiro[3.3]heptan-6-yl)pyrazolo[4,3-c]pyridin-6-yl]acetamide?
The canonical SMILES for N-[1-[4-(1,1-difluoroethyl)pyrimidin-2-yl]-3-(2-oxa-6-azaspiro[3.3]heptan-6-yl)pyrazolo[4,3-c]pyridin-6-yl]acetamide is CC(=O)Nc1cc2c(cn1)c(N1CC3(COC3)C1)nn2-c1nccc(C(C)(F)F)n1.
What is the InChIKey of N-[1-[4-(1,1-difluoroethyl)pyrimidin-2-yl]-3-(2-oxa-6-azaspiro[3.3]heptan-6-yl)pyrazolo[4,3-c]pyridin-6-yl]acetamide?
The InChIKey is WELGKEAVINFPNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19F2N7O2/c1-11(29)24-15-5-13-12(6-23-15)16(27-7-19(8-27)9-30-10-19)26-28(13)17-22-4-3-14(25-17)18(2,20)21/h3-6H,7-10H2,1-2H3,(H,23,24,29).
What are the key properties of N-[1-[4-(1,1-difluoroethyl)pyrimidin-2-yl]-3-(2-oxa-6-azaspiro[3.3]heptan-6-yl)pyrazolo[4,3-c]pyridin-6-yl]acetamide?
N-[1-[4-(1,1-difluoroethyl)pyrimidin-2-yl]-3-(2-oxa-6-azaspiro[3.3]heptan-6-yl)pyrazolo[4,3-c]pyridin-6-yl]acetamide has a molecular weight of 415.40 g/mol, XLogP of 2.12, 4 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[4-(1,1-difluoroethyl)pyrimidin-2-yl]-3-(2-oxa-6-azaspiro[3.3]heptan-6-yl)pyrazolo[4,3-c]pyridin-6-yl]acetamide is sourced from PubChem (CID 170577225), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).