N-[4-[(3R)-3-aminopiperidin-1-yl]-5-fluoro-1H-pyrrolo[2,3-b]pyridin-3-yl]-1-benzylpyrazole-4-carboxamide

C23H24FN7O — CID 71677956

IUPACN-[4-[(3R)-3-aminopiperidin-1-yl]-5-fluoro-1H-pyrrolo[2,3-b]pyridin-3-yl]-1-benzylpyrazole-4-carboxamide
SMILESN[C@@H]1CCCN(c2c(F)cnc3[nH]cc(NC(=O)c4cnn(Cc5ccccc5)c4)c23)C1
InChIInChI=1S/C23H24FN7O/c24-18-10-26-22-20(21(18)30-8-4-7-17(25)14-30)19(11-27-22)29-23(32)16-9-28-31(13-16)12-15-5-2-1-3-6-15/h1-3,5-6,9-11,13,17H,4,7-8,12,14,25H2,(H,26,27)(H,29,32)/t17-/m1/s1
InChIKeyPHEWWHHWHGYFGW-QGZVFWFLSA-N
MW433.49 g/mol
LogP3.13
Rot. Bonds5

About N-[4-[(3R)-3-aminopiperidin-1-yl]-5-fluoro-1H-pyrrolo[2,3-b]pyridin-3-yl]-1-benzylpyrazole-4-carboxamide

N-[4-[(3R)-3-aminopiperidin-1-yl]-5-fluoro-1H-pyrrolo[2,3-b]pyridin-3-yl]-1-benzylpyrazole-4-carboxamide (PubChem CID 71677956) has the molecular formula C23H24FN7O and a molecular weight of 433.49 g/mol. Its IUPAC name is N-[4-[(3R)-3-aminopiperidin-1-yl]-5-fluoro-1H-pyrrolo[2,3-b]pyridin-3-yl]-1-benzylpyrazole-4-carboxamide.

Molecular Properties

Compound NameN-[4-[(3R)-3-aminopiperidin-1-yl]-5-fluoro-1H-pyrrolo[2,3-b]pyridin-3-yl]-1-benzylpyrazole-4-carboxamide
PubChem CID71677956
Molecular FormulaC23H24FN7O
Molecular Weight433.49 g/mol
Exact Mass433.20
IUPAC NameN-[4-[(3R)-3-aminopiperidin-1-yl]-5-fluoro-1H-pyrrolo[2,3-b]pyridin-3-yl]-1-benzylpyrazole-4-carboxamide
SMILESN[C@@H]1CCCN(c2c(F)cnc3[nH]cc(NC(=O)c4cnn(Cc5ccccc5)c4)c23)C1
InChIInChI=1S/C23H24FN7O/c24-18-10-26-22-20(21(18)30-8-4-7-17(25)14-30)19(11-27-22)29-23(32)16-9-28-31(13-16)12-15-5-2-1-3-6-15/h1-3,5-6,9-11,13,17H,4,7-8,12,14,25H2,(H,26,27)(H,29,32)/t17-/m1/s1
InChIKeyPHEWWHHWHGYFGW-QGZVFWFLSA-N
XLogP3.13
TPSA104.86 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500433.49
LogP ≤ 53.13
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[4-[(3R)-3-aminopiperidin-1-yl]-5-fluoro-1H-pyrrolo[2,3-b]pyridin-3-yl]-1-benzylpyrazole-4-carboxamide?
The IUPAC name of N-[4-[(3R)-3-aminopiperidin-1-yl]-5-fluoro-1H-pyrrolo[2,3-b]pyridin-3-yl]-1-benzylpyrazole-4-carboxamide (CID 71677956) is N-[4-[(3R)-3-aminopiperidin-1-yl]-5-fluoro-1H-pyrrolo[2,3-b]pyridin-3-yl]-1-benzylpyrazole-4-carboxamide.
What is the SMILES notation for N-[4-[(3R)-3-aminopiperidin-1-yl]-5-fluoro-1H-pyrrolo[2,3-b]pyridin-3-yl]-1-benzylpyrazole-4-carboxamide?
The canonical SMILES for N-[4-[(3R)-3-aminopiperidin-1-yl]-5-fluoro-1H-pyrrolo[2,3-b]pyridin-3-yl]-1-benzylpyrazole-4-carboxamide is N[C@@H]1CCCN(c2c(F)cnc3[nH]cc(NC(=O)c4cnn(Cc5ccccc5)c4)c23)C1.
What is the InChIKey of N-[4-[(3R)-3-aminopiperidin-1-yl]-5-fluoro-1H-pyrrolo[2,3-b]pyridin-3-yl]-1-benzylpyrazole-4-carboxamide?
The InChIKey is PHEWWHHWHGYFGW-QGZVFWFLSA-N. The full InChI is InChI=1S/C23H24FN7O/c24-18-10-26-22-20(21(18)30-8-4-7-17(25)14-30)19(11-27-22)29-23(32)16-9-28-31(13-16)12-15-5-2-1-3-6-15/h1-3,5-6,9-11,13,17H,4,7-8,12,14,25H2,(H,26,27)(H,29,32)/t17-/m1/s1.
What are the key properties of N-[4-[(3R)-3-aminopiperidin-1-yl]-5-fluoro-1H-pyrrolo[2,3-b]pyridin-3-yl]-1-benzylpyrazole-4-carboxamide?
N-[4-[(3R)-3-aminopiperidin-1-yl]-5-fluoro-1H-pyrrolo[2,3-b]pyridin-3-yl]-1-benzylpyrazole-4-carboxamide has a molecular weight of 433.49 g/mol, XLogP of 3.13, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[(3R)-3-aminopiperidin-1-yl]-5-fluoro-1H-pyrrolo[2,3-b]pyridin-3-yl]-1-benzylpyrazole-4-carboxamide is sourced from PubChem (CID 71677956), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).