N-[4-[(3S)-3-aminopiperidin-1-yl]-2-pyridinyl]-5-(2-fluorophenyl)-1H-pyrrolo[3,2-b]pyridine-3-carboxamide

C24H23FN6O — CID 134138985

IUPACN-[4-[(3S)-3-aminopiperidin-1-yl]-2-pyridinyl]-5-(2-fluorophenyl)-1H-pyrrolo[3,2-b]pyridine-3-carboxamide
SMILESN[C@H]1CCCN(c2ccnc(NC(=O)c3c[nH]c4ccc(-c5ccccc5F)nc34)c2)C1
InChIInChI=1S/C24H23FN6O/c25-19-6-2-1-5-17(19)20-7-8-21-23(29-20)18(13-28-21)24(32)30-22-12-16(9-10-27-22)31-11-3-4-15(26)14-31/h1-2,5-10,12-13,15,28H,3-4,11,14,26H2,(H,27,30,32)/t15-/m0/s1
InChIKeySBIZDCXHNTXPFJ-HNNXBMFYSA-N
MW430.49 g/mol
LogP3.94
Rot. Bonds4

About N-[4-[(3S)-3-aminopiperidin-1-yl]-2-pyridinyl]-5-(2-fluorophenyl)-1H-pyrrolo[3,2-b]pyridine-3-carboxamide

N-[4-[(3S)-3-aminopiperidin-1-yl]-2-pyridinyl]-5-(2-fluorophenyl)-1H-pyrrolo[3,2-b]pyridine-3-carboxamide (PubChem CID 134138985) has the molecular formula C24H23FN6O and a molecular weight of 430.49 g/mol. Its IUPAC name is N-[4-[(3S)-3-aminopiperidin-1-yl]-2-pyridinyl]-5-(2-fluorophenyl)-1H-pyrrolo[3,2-b]pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[4-[(3S)-3-aminopiperidin-1-yl]-2-pyridinyl]-5-(2-fluorophenyl)-1H-pyrrolo[3,2-b]pyridine-3-carboxamide
PubChem CID134138985
Molecular FormulaC24H23FN6O
Molecular Weight430.49 g/mol
Exact Mass430.19
IUPAC NameN-[4-[(3S)-3-aminopiperidin-1-yl]-2-pyridinyl]-5-(2-fluorophenyl)-1H-pyrrolo[3,2-b]pyridine-3-carboxamide
SMILESN[C@H]1CCCN(c2ccnc(NC(=O)c3c[nH]c4ccc(-c5ccccc5F)nc34)c2)C1
InChIInChI=1S/C24H23FN6O/c25-19-6-2-1-5-17(19)20-7-8-21-23(29-20)18(13-28-21)24(32)30-22-12-16(9-10-27-22)31-11-3-4-15(26)14-31/h1-2,5-10,12-13,15,28H,3-4,11,14,26H2,(H,27,30,32)/t15-/m0/s1
InChIKeySBIZDCXHNTXPFJ-HNNXBMFYSA-N
XLogP3.94
TPSA99.93 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.49
LogP ≤ 53.94
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[4-[(3S)-3-aminopiperidin-1-yl]-2-pyridinyl]-5-(2-fluorophenyl)-1H-pyrrolo[3,2-b]pyridine-3-carboxamide?
The IUPAC name of N-[4-[(3S)-3-aminopiperidin-1-yl]-2-pyridinyl]-5-(2-fluorophenyl)-1H-pyrrolo[3,2-b]pyridine-3-carboxamide (CID 134138985) is N-[4-[(3S)-3-aminopiperidin-1-yl]-2-pyridinyl]-5-(2-fluorophenyl)-1H-pyrrolo[3,2-b]pyridine-3-carboxamide.
What is the SMILES notation for N-[4-[(3S)-3-aminopiperidin-1-yl]-2-pyridinyl]-5-(2-fluorophenyl)-1H-pyrrolo[3,2-b]pyridine-3-carboxamide?
The canonical SMILES for N-[4-[(3S)-3-aminopiperidin-1-yl]-2-pyridinyl]-5-(2-fluorophenyl)-1H-pyrrolo[3,2-b]pyridine-3-carboxamide is N[C@H]1CCCN(c2ccnc(NC(=O)c3c[nH]c4ccc(-c5ccccc5F)nc34)c2)C1.
What is the InChIKey of N-[4-[(3S)-3-aminopiperidin-1-yl]-2-pyridinyl]-5-(2-fluorophenyl)-1H-pyrrolo[3,2-b]pyridine-3-carboxamide?
The InChIKey is SBIZDCXHNTXPFJ-HNNXBMFYSA-N. The full InChI is InChI=1S/C24H23FN6O/c25-19-6-2-1-5-17(19)20-7-8-21-23(29-20)18(13-28-21)24(32)30-22-12-16(9-10-27-22)31-11-3-4-15(26)14-31/h1-2,5-10,12-13,15,28H,3-4,11,14,26H2,(H,27,30,32)/t15-/m0/s1.
What are the key properties of N-[4-[(3S)-3-aminopiperidin-1-yl]-2-pyridinyl]-5-(2-fluorophenyl)-1H-pyrrolo[3,2-b]pyridine-3-carboxamide?
N-[4-[(3S)-3-aminopiperidin-1-yl]-2-pyridinyl]-5-(2-fluorophenyl)-1H-pyrrolo[3,2-b]pyridine-3-carboxamide has a molecular weight of 430.49 g/mol, XLogP of 3.94, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[(3S)-3-aminopiperidin-1-yl]-2-pyridinyl]-5-(2-fluorophenyl)-1H-pyrrolo[3,2-b]pyridine-3-carboxamide is sourced from PubChem (CID 134138985), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).