N-[1-[4-chloro-6-(2-fluoropropan-2-yl)pyrimidin-2-yl]-3-cyclopropylpyrazolo[4,3-c]pyridin-6-yl]acetamide

C18H18ClFN6O — CID 170352220

IUPACN-[1-[4-chloro-6-(2-fluoropropan-2-yl)pyrimidin-2-yl]-3-cyclopropylpyrazolo[4,3-c]pyridin-6-yl]acetamide
SMILESCC(=O)Nc1cc2c(cn1)c(C1CC1)nn2-c1nc(Cl)cc(C(C)(C)F)n1
InChIInChI=1S/C18H18ClFN6O/c1-9(27)22-15-6-12-11(8-21-15)16(10-4-5-10)25-26(12)17-23-13(18(2,3)20)7-14(19)24-17/h6-8,10H,4-5H2,1-3H3,(H,21,22,27)
InChIKeyWGCYREDBDJJOCS-UHFFFAOYSA-N
MW388.83 g/mol
LogP3.90
Rot. Bonds4

About N-[1-[4-chloro-6-(2-fluoropropan-2-yl)pyrimidin-2-yl]-3-cyclopropylpyrazolo[4,3-c]pyridin-6-yl]acetamide

N-[1-[4-chloro-6-(2-fluoropropan-2-yl)pyrimidin-2-yl]-3-cyclopropylpyrazolo[4,3-c]pyridin-6-yl]acetamide (PubChem CID 170352220) has the molecular formula C18H18ClFN6O and a molecular weight of 388.83 g/mol. Its IUPAC name is N-[1-[4-chloro-6-(2-fluoropropan-2-yl)pyrimidin-2-yl]-3-cyclopropylpyrazolo[4,3-c]pyridin-6-yl]acetamide.

Molecular Properties

Compound NameN-[1-[4-chloro-6-(2-fluoropropan-2-yl)pyrimidin-2-yl]-3-cyclopropylpyrazolo[4,3-c]pyridin-6-yl]acetamide
PubChem CID170352220
Molecular FormulaC18H18ClFN6O
Molecular Weight388.83 g/mol
Exact Mass388.12
IUPAC NameN-[1-[4-chloro-6-(2-fluoropropan-2-yl)pyrimidin-2-yl]-3-cyclopropylpyrazolo[4,3-c]pyridin-6-yl]acetamide
SMILESCC(=O)Nc1cc2c(cn1)c(C1CC1)nn2-c1nc(Cl)cc(C(C)(C)F)n1
InChIInChI=1S/C18H18ClFN6O/c1-9(27)22-15-6-12-11(8-21-15)16(10-4-5-10)25-26(12)17-23-13(18(2,3)20)7-14(19)24-17/h6-8,10H,4-5H2,1-3H3,(H,21,22,27)
InChIKeyWGCYREDBDJJOCS-UHFFFAOYSA-N
XLogP3.90
TPSA85.59 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.83
LogP ≤ 53.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[1-[4-chloro-6-(2-fluoropropan-2-yl)pyrimidin-2-yl]-3-cyclopropylpyrazolo[4,3-c]pyridin-6-yl]acetamide?
The IUPAC name of N-[1-[4-chloro-6-(2-fluoropropan-2-yl)pyrimidin-2-yl]-3-cyclopropylpyrazolo[4,3-c]pyridin-6-yl]acetamide (CID 170352220) is N-[1-[4-chloro-6-(2-fluoropropan-2-yl)pyrimidin-2-yl]-3-cyclopropylpyrazolo[4,3-c]pyridin-6-yl]acetamide.
What is the SMILES notation for N-[1-[4-chloro-6-(2-fluoropropan-2-yl)pyrimidin-2-yl]-3-cyclopropylpyrazolo[4,3-c]pyridin-6-yl]acetamide?
The canonical SMILES for N-[1-[4-chloro-6-(2-fluoropropan-2-yl)pyrimidin-2-yl]-3-cyclopropylpyrazolo[4,3-c]pyridin-6-yl]acetamide is CC(=O)Nc1cc2c(cn1)c(C1CC1)nn2-c1nc(Cl)cc(C(C)(C)F)n1.
What is the InChIKey of N-[1-[4-chloro-6-(2-fluoropropan-2-yl)pyrimidin-2-yl]-3-cyclopropylpyrazolo[4,3-c]pyridin-6-yl]acetamide?
The InChIKey is WGCYREDBDJJOCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18ClFN6O/c1-9(27)22-15-6-12-11(8-21-15)16(10-4-5-10)25-26(12)17-23-13(18(2,3)20)7-14(19)24-17/h6-8,10H,4-5H2,1-3H3,(H,21,22,27).
What are the key properties of N-[1-[4-chloro-6-(2-fluoropropan-2-yl)pyrimidin-2-yl]-3-cyclopropylpyrazolo[4,3-c]pyridin-6-yl]acetamide?
N-[1-[4-chloro-6-(2-fluoropropan-2-yl)pyrimidin-2-yl]-3-cyclopropylpyrazolo[4,3-c]pyridin-6-yl]acetamide has a molecular weight of 388.83 g/mol, XLogP of 3.90, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[4-chloro-6-(2-fluoropropan-2-yl)pyrimidin-2-yl]-3-cyclopropylpyrazolo[4,3-c]pyridin-6-yl]acetamide is sourced from PubChem (CID 170352220), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).