3-[4-[(3R)-3-aminopiperidin-1-yl]-8-fluoroquinolin-6-yl]-N-(pyridin-3-ylmethyl)-1H-pyrrolo[2,3-b]pyridine-5-carboxamide;hydrochloride

C28H27ClFN7O — CID 135145616

IUPAC3-[4-[(3R)-3-aminopiperidin-1-yl]-8-fluoroquinolin-6-yl]-N-(pyridin-3-ylmethyl)-1H-pyrrolo[2,3-b]pyridine-5-carboxamide;hydrochloride
SMILESCl.N[C@@H]1CCCN(c2ccnc3c(F)cc(-c4c[nH]c5ncc(C(=O)NCc6cccnc6)cc45)cc23)C1
InChIInChI=1S/C28H26FN7O.ClH/c29-24-11-18(9-22-25(5-7-32-26(22)24)36-8-2-4-20(30)16-36)23-15-34-27-21(23)10-19(14-33-27)28(37)35-13-17-3-1-6-31-12-17;/h1,3,5-7,9-12,14-15,20H,2,4,8,13,16,30H2,(H,33,34)(H,35,37);1H/t20-;/m1./s1
InChIKeyZPGZLXRLMOJWRQ-VEIFNGETSA-N
MW532.02 g/mol
LogP4.59
Rot. Bonds5

About 3-[4-[(3R)-3-aminopiperidin-1-yl]-8-fluoroquinolin-6-yl]-N-(pyridin-3-ylmethyl)-1H-pyrrolo[2,3-b]pyridine-5-carboxamide;hydrochloride

3-[4-[(3R)-3-aminopiperidin-1-yl]-8-fluoroquinolin-6-yl]-N-(pyridin-3-ylmethyl)-1H-pyrrolo[2,3-b]pyridine-5-carboxamide;hydrochloride (PubChem CID 135145616) has the molecular formula C28H27ClFN7O and a molecular weight of 532.02 g/mol. Its IUPAC name is 3-[4-[(3R)-3-aminopiperidin-1-yl]-8-fluoroquinolin-6-yl]-N-(pyridin-3-ylmethyl)-1H-pyrrolo[2,3-b]pyridine-5-carboxamide;hydrochloride.

Molecular Properties

Compound Name3-[4-[(3R)-3-aminopiperidin-1-yl]-8-fluoroquinolin-6-yl]-N-(pyridin-3-ylmethyl)-1H-pyrrolo[2,3-b]pyridine-5-carboxamide;hydrochloride
PubChem CID135145616
Molecular FormulaC28H27ClFN7O
Molecular Weight532.02 g/mol
Exact Mass531.19
IUPAC Name3-[4-[(3R)-3-aminopiperidin-1-yl]-8-fluoroquinolin-6-yl]-N-(pyridin-3-ylmethyl)-1H-pyrrolo[2,3-b]pyridine-5-carboxamide;hydrochloride
SMILESCl.N[C@@H]1CCCN(c2ccnc3c(F)cc(-c4c[nH]c5ncc(C(=O)NCc6cccnc6)cc45)cc23)C1
InChIInChI=1S/C28H26FN7O.ClH/c29-24-11-18(9-22-25(5-7-32-26(22)24)36-8-2-4-20(30)16-36)23-15-34-27-21(23)10-19(14-33-27)28(37)35-13-17-3-1-6-31-12-17;/h1,3,5-7,9-12,14-15,20H,2,4,8,13,16,30H2,(H,33,34)(H,35,37);1H/t20-;/m1./s1
InChIKeyZPGZLXRLMOJWRQ-VEIFNGETSA-N
XLogP4.59
TPSA112.82 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500532.02
LogP ≤ 54.59
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze 3-[4-[(3R)-3-aminopiperidin-1-yl]-8-fluoroquinolin-6-yl]-N-(pyridin-3-ylmethyl)-1H-pyrrolo[2,3-b]pyridine-5-carboxamide;hydrochloride with MolForge

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Frequently Asked Questions

What is the IUPAC name of 3-[4-[(3R)-3-aminopiperidin-1-yl]-8-fluoroquinolin-6-yl]-N-(pyridin-3-ylmethyl)-1H-pyrrolo[2,3-b]pyridine-5-carboxamide;hydrochloride?
The IUPAC name of 3-[4-[(3R)-3-aminopiperidin-1-yl]-8-fluoroquinolin-6-yl]-N-(pyridin-3-ylmethyl)-1H-pyrrolo[2,3-b]pyridine-5-carboxamide;hydrochloride (CID 135145616) is 3-[4-[(3R)-3-aminopiperidin-1-yl]-8-fluoroquinolin-6-yl]-N-(pyridin-3-ylmethyl)-1H-pyrrolo[2,3-b]pyridine-5-carboxamide;hydrochloride.
What is the SMILES notation for 3-[4-[(3R)-3-aminopiperidin-1-yl]-8-fluoroquinolin-6-yl]-N-(pyridin-3-ylmethyl)-1H-pyrrolo[2,3-b]pyridine-5-carboxamide;hydrochloride?
The canonical SMILES for 3-[4-[(3R)-3-aminopiperidin-1-yl]-8-fluoroquinolin-6-yl]-N-(pyridin-3-ylmethyl)-1H-pyrrolo[2,3-b]pyridine-5-carboxamide;hydrochloride is Cl.N[C@@H]1CCCN(c2ccnc3c(F)cc(-c4c[nH]c5ncc(C(=O)NCc6cccnc6)cc45)cc23)C1.
What is the InChIKey of 3-[4-[(3R)-3-aminopiperidin-1-yl]-8-fluoroquinolin-6-yl]-N-(pyridin-3-ylmethyl)-1H-pyrrolo[2,3-b]pyridine-5-carboxamide;hydrochloride?
The InChIKey is ZPGZLXRLMOJWRQ-VEIFNGETSA-N. The full InChI is InChI=1S/C28H26FN7O.ClH/c29-24-11-18(9-22-25(5-7-32-26(22)24)36-8-2-4-20(30)16-36)23-15-34-27-21(23)10-19(14-33-27)28(37)35-13-17-3-1-6-31-12-17;/h1,3,5-7,9-12,14-15,20H,2,4,8,13,16,30H2,(H,33,34)(H,35,37);1H/t20-;/m1./s1.
What are the key properties of 3-[4-[(3R)-3-aminopiperidin-1-yl]-8-fluoroquinolin-6-yl]-N-(pyridin-3-ylmethyl)-1H-pyrrolo[2,3-b]pyridine-5-carboxamide;hydrochloride?
3-[4-[(3R)-3-aminopiperidin-1-yl]-8-fluoroquinolin-6-yl]-N-(pyridin-3-ylmethyl)-1H-pyrrolo[2,3-b]pyridine-5-carboxamide;hydrochloride has a molecular weight of 532.02 g/mol, XLogP of 4.59, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-[(3R)-3-aminopiperidin-1-yl]-8-fluoroquinolin-6-yl]-N-(pyridin-3-ylmethyl)-1H-pyrrolo[2,3-b]pyridine-5-carboxamide;hydrochloride is sourced from PubChem (CID 135145616), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).