5-amino-N-[4-(3-aminopiperidin-1-yl)-3-pyridinyl]-2-(2-fluoro-5-methoxyphenyl)pyrimidine-4-carboxamide

C22H24FN7O2 — CID 77420657

IUPAC5-amino-N-[4-(3-aminopiperidin-1-yl)-3-pyridinyl]-2-(2-fluoro-5-methoxyphenyl)pyrimidine-4-carboxamide
SMILESCOc1ccc(F)c(-c2ncc(N)c(C(=O)Nc3cnccc3N3CCCC(N)C3)n2)c1
InChIInChI=1S/C22H24FN7O2/c1-32-14-4-5-16(23)15(9-14)21-27-10-17(25)20(29-21)22(31)28-18-11-26-7-6-19(18)30-8-2-3-13(24)12-30/h4-7,9-11,13H,2-3,8,12,24-25H2,1H3,(H,28,31)
InChIKeyYSIAACMQOLSJJP-UHFFFAOYSA-N
MW437.48 g/mol
LogP2.45
Rot. Bonds5

About 5-amino-N-[4-(3-aminopiperidin-1-yl)-3-pyridinyl]-2-(2-fluoro-5-methoxyphenyl)pyrimidine-4-carboxamide

5-amino-N-[4-(3-aminopiperidin-1-yl)-3-pyridinyl]-2-(2-fluoro-5-methoxyphenyl)pyrimidine-4-carboxamide (PubChem CID 77420657) has the molecular formula C22H24FN7O2 and a molecular weight of 437.48 g/mol. Its IUPAC name is 5-amino-N-[4-(3-aminopiperidin-1-yl)-3-pyridinyl]-2-(2-fluoro-5-methoxyphenyl)pyrimidine-4-carboxamide.

Molecular Properties

Compound Name5-amino-N-[4-(3-aminopiperidin-1-yl)-3-pyridinyl]-2-(2-fluoro-5-methoxyphenyl)pyrimidine-4-carboxamide
PubChem CID77420657
Molecular FormulaC22H24FN7O2
Molecular Weight437.48 g/mol
Exact Mass437.20
IUPAC Name5-amino-N-[4-(3-aminopiperidin-1-yl)-3-pyridinyl]-2-(2-fluoro-5-methoxyphenyl)pyrimidine-4-carboxamide
SMILESCOc1ccc(F)c(-c2ncc(N)c(C(=O)Nc3cnccc3N3CCCC(N)C3)n2)c1
InChIInChI=1S/C22H24FN7O2/c1-32-14-4-5-16(23)15(9-14)21-27-10-17(25)20(29-21)22(31)28-18-11-26-7-6-19(18)30-8-2-3-13(24)12-30/h4-7,9-11,13H,2-3,8,12,24-25H2,1H3,(H,28,31)
InChIKeyYSIAACMQOLSJJP-UHFFFAOYSA-N
XLogP2.45
TPSA132.28 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500437.48
LogP ≤ 52.45
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 5-amino-N-[4-(3-aminopiperidin-1-yl)-3-pyridinyl]-2-(2-fluoro-5-methoxyphenyl)pyrimidine-4-carboxamide?
The IUPAC name of 5-amino-N-[4-(3-aminopiperidin-1-yl)-3-pyridinyl]-2-(2-fluoro-5-methoxyphenyl)pyrimidine-4-carboxamide (CID 77420657) is 5-amino-N-[4-(3-aminopiperidin-1-yl)-3-pyridinyl]-2-(2-fluoro-5-methoxyphenyl)pyrimidine-4-carboxamide.
What is the SMILES notation for 5-amino-N-[4-(3-aminopiperidin-1-yl)-3-pyridinyl]-2-(2-fluoro-5-methoxyphenyl)pyrimidine-4-carboxamide?
The canonical SMILES for 5-amino-N-[4-(3-aminopiperidin-1-yl)-3-pyridinyl]-2-(2-fluoro-5-methoxyphenyl)pyrimidine-4-carboxamide is COc1ccc(F)c(-c2ncc(N)c(C(=O)Nc3cnccc3N3CCCC(N)C3)n2)c1.
What is the InChIKey of 5-amino-N-[4-(3-aminopiperidin-1-yl)-3-pyridinyl]-2-(2-fluoro-5-methoxyphenyl)pyrimidine-4-carboxamide?
The InChIKey is YSIAACMQOLSJJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24FN7O2/c1-32-14-4-5-16(23)15(9-14)21-27-10-17(25)20(29-21)22(31)28-18-11-26-7-6-19(18)30-8-2-3-13(24)12-30/h4-7,9-11,13H,2-3,8,12,24-25H2,1H3,(H,28,31).
What are the key properties of 5-amino-N-[4-(3-aminopiperidin-1-yl)-3-pyridinyl]-2-(2-fluoro-5-methoxyphenyl)pyrimidine-4-carboxamide?
5-amino-N-[4-(3-aminopiperidin-1-yl)-3-pyridinyl]-2-(2-fluoro-5-methoxyphenyl)pyrimidine-4-carboxamide has a molecular weight of 437.48 g/mol, XLogP of 2.45, 5 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-N-[4-(3-aminopiperidin-1-yl)-3-pyridinyl]-2-(2-fluoro-5-methoxyphenyl)pyrimidine-4-carboxamide is sourced from PubChem (CID 77420657), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).