N-[1-[4-(1,1-difluoroethyl)pyrimidin-2-yl]-3-(2-phenylmethoxycyclopropyl)pyrazolo[4,3-c]pyridin-6-yl]acetamide

C24H22F2N6O2 — CID 170351898

IUPACN-[1-[4-(1,1-difluoroethyl)pyrimidin-2-yl]-3-(2-phenylmethoxycyclopropyl)pyrazolo[4,3-c]pyridin-6-yl]acetamide
SMILESCC(=O)Nc1cc2c(cn1)c(C1CC1OCc1ccccc1)nn2-c1nccc(C(C)(F)F)n1
InChIInChI=1S/C24H22F2N6O2/c1-14(33)29-21-11-18-17(12-28-21)22(16-10-19(16)34-13-15-6-4-3-5-7-15)31-32(18)23-27-9-8-20(30-23)24(2,25)26/h3-9,11-12,16,19H,10,13H2,1-2H3,(H,28,29,33)
InChIKeyAHGMVBARKWEWNG-UHFFFAOYSA-N
MW464.48 g/mol
LogP4.35
Rot. Bonds7

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

N-[1-[4-(1,1-difluoroethyl)pyrimidin-2-yl]-3-(2-phenylmethoxycyclopropyl)pyrazolo[4,3-c]pyridin-6-yl]acetamide (PubChem CID 170351898) has the molecular formula C24H22F2N6O2 and a molecular weight of 464.48 g/mol. Its IUPAC name is N-[1-[4-(1,1-difluoroethyl)pyrimidin-2-yl]-3-(2-phenylmethoxycyclopropyl)pyrazolo[4,3-c]pyridin-6-yl]acetamide.

Molecular Properties

Compound NameN-[1-[4-(1,1-difluoroethyl)pyrimidin-2-yl]-3-(2-phenylmethoxycyclopropyl)pyrazolo[4,3-c]pyridin-6-yl]acetamide
PubChem CID170351898
Molecular FormulaC24H22F2N6O2
Molecular Weight464.48 g/mol
Exact Mass464.18
IUPAC NameN-[1-[4-(1,1-difluoroethyl)pyrimidin-2-yl]-3-(2-phenylmethoxycyclopropyl)pyrazolo[4,3-c]pyridin-6-yl]acetamide
SMILESCC(=O)Nc1cc2c(cn1)c(C1CC1OCc1ccccc1)nn2-c1nccc(C(C)(F)F)n1
InChIInChI=1S/C24H22F2N6O2/c1-14(33)29-21-11-18-17(12-28-21)22(16-10-19(16)34-13-15-6-4-3-5-7-15)31-32(18)23-27-9-8-20(30-23)24(2,25)26/h3-9,11-12,16,19H,10,13H2,1-2H3,(H,28,29,33)
InChIKeyAHGMVBARKWEWNG-UHFFFAOYSA-N
XLogP4.35
TPSA94.82 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500464.48
LogP ≤ 54.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-[1-[4-(1,1-difluoroethyl)pyrimidin-2-yl]-3-(2-phenylmethoxycyclopropyl)pyrazolo[4,3-c]pyridin-6-yl]acetamide?
The IUPAC name of N-[1-[4-(1,1-difluoroethyl)pyrimidin-2-yl]-3-(2-phenylmethoxycyclopropyl)pyrazolo[4,3-c]pyridin-6-yl]acetamide (CID 170351898) is N-[1-[4-(1,1-difluoroethyl)pyrimidin-2-yl]-3-(2-phenylmethoxycyclopropyl)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-phenylmethoxycyclopropyl)pyrazolo[4,3-c]pyridin-6-yl]acetamide?
The canonical SMILES for N-[1-[4-(1,1-difluoroethyl)pyrimidin-2-yl]-3-(2-phenylmethoxycyclopropyl)pyrazolo[4,3-c]pyridin-6-yl]acetamide is CC(=O)Nc1cc2c(cn1)c(C1CC1OCc1ccccc1)nn2-c1nccc(C(C)(F)F)n1.
What is the InChIKey of N-[1-[4-(1,1-difluoroethyl)pyrimidin-2-yl]-3-(2-phenylmethoxycyclopropyl)pyrazolo[4,3-c]pyridin-6-yl]acetamide?
The InChIKey is AHGMVBARKWEWNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22F2N6O2/c1-14(33)29-21-11-18-17(12-28-21)22(16-10-19(16)34-13-15-6-4-3-5-7-15)31-32(18)23-27-9-8-20(30-23)24(2,25)26/h3-9,11-12,16,19H,10,13H2,1-2H3,(H,28,29,33).
What are the key properties of N-[1-[4-(1,1-difluoroethyl)pyrimidin-2-yl]-3-(2-phenylmethoxycyclopropyl)pyrazolo[4,3-c]pyridin-6-yl]acetamide?
N-[1-[4-(1,1-difluoroethyl)pyrimidin-2-yl]-3-(2-phenylmethoxycyclopropyl)pyrazolo[4,3-c]pyridin-6-yl]acetamide has a molecular weight of 464.48 g/mol, XLogP of 4.35, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[4-(1,1-difluoroethyl)pyrimidin-2-yl]-3-(2-phenylmethoxycyclopropyl)pyrazolo[4,3-c]pyridin-6-yl]acetamide is sourced from PubChem (CID 170351898), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).