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

C18H17FN6O2 — CID 170577310

IUPACN-[3-cyclopropyl-1-[2-(3-fluorooxetan-3-yl)pyrimidin-4-yl]pyrazolo[4,3-c]pyridin-6-yl]acetamide
SMILESCC(=O)Nc1cc2c(cn1)c(C1CC1)nn2-c1ccnc(C2(F)COC2)n1
InChIInChI=1S/C18H17FN6O2/c1-10(26)22-14-6-13-12(7-21-14)16(11-2-3-11)24-25(13)15-4-5-20-17(23-15)18(19)8-27-9-18/h4-7,11H,2-3,8-9H2,1H3,(H,21,22,26)
InChIKeyDUFKSCMFNYWNTC-UHFFFAOYSA-N
MW368.37 g/mol
LogP2.24
Rot. Bonds4

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

N-[3-cyclopropyl-1-[2-(3-fluorooxetan-3-yl)pyrimidin-4-yl]pyrazolo[4,3-c]pyridin-6-yl]acetamide (PubChem CID 170577310) has the molecular formula C18H17FN6O2 and a molecular weight of 368.37 g/mol. Its IUPAC name is N-[3-cyclopropyl-1-[2-(3-fluorooxetan-3-yl)pyrimidin-4-yl]pyrazolo[4,3-c]pyridin-6-yl]acetamide.

Molecular Properties

Compound NameN-[3-cyclopropyl-1-[2-(3-fluorooxetan-3-yl)pyrimidin-4-yl]pyrazolo[4,3-c]pyridin-6-yl]acetamide
PubChem CID170577310
Molecular FormulaC18H17FN6O2
Molecular Weight368.37 g/mol
Exact Mass368.14
IUPAC NameN-[3-cyclopropyl-1-[2-(3-fluorooxetan-3-yl)pyrimidin-4-yl]pyrazolo[4,3-c]pyridin-6-yl]acetamide
SMILESCC(=O)Nc1cc2c(cn1)c(C1CC1)nn2-c1ccnc(C2(F)COC2)n1
InChIInChI=1S/C18H17FN6O2/c1-10(26)22-14-6-13-12(7-21-14)16(11-2-3-11)24-25(13)15-4-5-20-17(23-15)18(19)8-27-9-18/h4-7,11H,2-3,8-9H2,1H3,(H,21,22,26)
InChIKeyDUFKSCMFNYWNTC-UHFFFAOYSA-N
XLogP2.24
TPSA94.82 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.37
LogP ≤ 52.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-[3-cyclopropyl-1-[2-(3-fluorooxetan-3-yl)pyrimidin-4-yl]pyrazolo[4,3-c]pyridin-6-yl]acetamide?
The IUPAC name of N-[3-cyclopropyl-1-[2-(3-fluorooxetan-3-yl)pyrimidin-4-yl]pyrazolo[4,3-c]pyridin-6-yl]acetamide (CID 170577310) is N-[3-cyclopropyl-1-[2-(3-fluorooxetan-3-yl)pyrimidin-4-yl]pyrazolo[4,3-c]pyridin-6-yl]acetamide.
What is the SMILES notation for N-[3-cyclopropyl-1-[2-(3-fluorooxetan-3-yl)pyrimidin-4-yl]pyrazolo[4,3-c]pyridin-6-yl]acetamide?
The canonical SMILES for N-[3-cyclopropyl-1-[2-(3-fluorooxetan-3-yl)pyrimidin-4-yl]pyrazolo[4,3-c]pyridin-6-yl]acetamide is CC(=O)Nc1cc2c(cn1)c(C1CC1)nn2-c1ccnc(C2(F)COC2)n1.
What is the InChIKey of N-[3-cyclopropyl-1-[2-(3-fluorooxetan-3-yl)pyrimidin-4-yl]pyrazolo[4,3-c]pyridin-6-yl]acetamide?
The InChIKey is DUFKSCMFNYWNTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17FN6O2/c1-10(26)22-14-6-13-12(7-21-14)16(11-2-3-11)24-25(13)15-4-5-20-17(23-15)18(19)8-27-9-18/h4-7,11H,2-3,8-9H2,1H3,(H,21,22,26).
What are the key properties of N-[3-cyclopropyl-1-[2-(3-fluorooxetan-3-yl)pyrimidin-4-yl]pyrazolo[4,3-c]pyridin-6-yl]acetamide?
N-[3-cyclopropyl-1-[2-(3-fluorooxetan-3-yl)pyrimidin-4-yl]pyrazolo[4,3-c]pyridin-6-yl]acetamide has a molecular weight of 368.37 g/mol, XLogP of 2.24, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-cyclopropyl-1-[2-(3-fluorooxetan-3-yl)pyrimidin-4-yl]pyrazolo[4,3-c]pyridin-6-yl]acetamide is sourced from PubChem (CID 170577310), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).