N-[2-[(3R)-3-aminopiperidin-1-yl]phenyl]-2-indazol-1-ylpyrimidine-4-carboxamide

C23H23N7O — CID 59569339

IUPACN-[2-[(3R)-3-aminopiperidin-1-yl]phenyl]-2-indazol-1-ylpyrimidine-4-carboxamide
SMILESN[C@@H]1CCCN(c2ccccc2NC(=O)c2ccnc(-n3ncc4ccccc43)n2)C1
InChIInChI=1S/C23H23N7O/c24-17-7-5-13-29(15-17)21-10-4-2-8-18(21)27-22(31)19-11-12-25-23(28-19)30-20-9-3-1-6-16(20)14-26-30/h1-4,6,8-12,14,17H,5,7,13,15,24H2,(H,27,31)/t17-/m1/s1
InChIKeySDBORCVXWKKMON-QGZVFWFLSA-N
MW413.49 g/mol
LogP3.00
Rot. Bonds4

About N-[2-[(3R)-3-aminopiperidin-1-yl]phenyl]-2-indazol-1-ylpyrimidine-4-carboxamide

N-[2-[(3R)-3-aminopiperidin-1-yl]phenyl]-2-indazol-1-ylpyrimidine-4-carboxamide (PubChem CID 59569339) has the molecular formula C23H23N7O and a molecular weight of 413.49 g/mol. Its IUPAC name is N-[2-[(3R)-3-aminopiperidin-1-yl]phenyl]-2-indazol-1-ylpyrimidine-4-carboxamide.

Molecular Properties

Compound NameN-[2-[(3R)-3-aminopiperidin-1-yl]phenyl]-2-indazol-1-ylpyrimidine-4-carboxamide
PubChem CID59569339
Molecular FormulaC23H23N7O
Molecular Weight413.49 g/mol
Exact Mass413.20
IUPAC NameN-[2-[(3R)-3-aminopiperidin-1-yl]phenyl]-2-indazol-1-ylpyrimidine-4-carboxamide
SMILESN[C@@H]1CCCN(c2ccccc2NC(=O)c2ccnc(-n3ncc4ccccc43)n2)C1
InChIInChI=1S/C23H23N7O/c24-17-7-5-13-29(15-17)21-10-4-2-8-18(21)27-22(31)19-11-12-25-23(28-19)30-20-9-3-1-6-16(20)14-26-30/h1-4,6,8-12,14,17H,5,7,13,15,24H2,(H,27,31)/t17-/m1/s1
InChIKeySDBORCVXWKKMON-QGZVFWFLSA-N
XLogP3.00
TPSA101.96 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500413.49
LogP ≤ 53.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-[2-[(3R)-3-aminopiperidin-1-yl]phenyl]-2-indazol-1-ylpyrimidine-4-carboxamide?
The IUPAC name of N-[2-[(3R)-3-aminopiperidin-1-yl]phenyl]-2-indazol-1-ylpyrimidine-4-carboxamide (CID 59569339) is N-[2-[(3R)-3-aminopiperidin-1-yl]phenyl]-2-indazol-1-ylpyrimidine-4-carboxamide.
What is the SMILES notation for N-[2-[(3R)-3-aminopiperidin-1-yl]phenyl]-2-indazol-1-ylpyrimidine-4-carboxamide?
The canonical SMILES for N-[2-[(3R)-3-aminopiperidin-1-yl]phenyl]-2-indazol-1-ylpyrimidine-4-carboxamide is N[C@@H]1CCCN(c2ccccc2NC(=O)c2ccnc(-n3ncc4ccccc43)n2)C1.
What is the InChIKey of N-[2-[(3R)-3-aminopiperidin-1-yl]phenyl]-2-indazol-1-ylpyrimidine-4-carboxamide?
The InChIKey is SDBORCVXWKKMON-QGZVFWFLSA-N. The full InChI is InChI=1S/C23H23N7O/c24-17-7-5-13-29(15-17)21-10-4-2-8-18(21)27-22(31)19-11-12-25-23(28-19)30-20-9-3-1-6-16(20)14-26-30/h1-4,6,8-12,14,17H,5,7,13,15,24H2,(H,27,31)/t17-/m1/s1.
What are the key properties of N-[2-[(3R)-3-aminopiperidin-1-yl]phenyl]-2-indazol-1-ylpyrimidine-4-carboxamide?
N-[2-[(3R)-3-aminopiperidin-1-yl]phenyl]-2-indazol-1-ylpyrimidine-4-carboxamide has a molecular weight of 413.49 g/mol, XLogP of 3.00, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(3R)-3-aminopiperidin-1-yl]phenyl]-2-indazol-1-ylpyrimidine-4-carboxamide is sourced from PubChem (CID 59569339), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).