N-[4-[(2R,4R,5S,6R)-4-amino-5-hydroxy-6-propan-2-yloxan-2-yl]-3-pyridinyl]-5-fluoro-6-(1H-pyrrolo[2,3-b]pyridin-5-yl)pyridine-2-carboxamide

C26H27FN6O3 — CID 56601936

IUPACN-[4-[(2R,4R,5S,6R)-4-amino-5-hydroxy-6-propan-2-yloxan-2-yl]-3-pyridinyl]-5-fluoro-6-(1H-pyrrolo[2,3-b]pyridin-5-yl)pyridine-2-carboxamide
SMILESCC(C)[C@H]1O[C@@H](c2ccncc2NC(=O)c2ccc(F)c(-c3cnc4[nH]ccc4c3)n2)C[C@@H](N)[C@@H]1O
InChIInChI=1S/C26H27FN6O3/c1-13(2)24-23(34)18(28)10-21(36-24)16-6-7-29-12-20(16)33-26(35)19-4-3-17(27)22(32-19)15-9-14-5-8-30-25(14)31-11-15/h3-9,11-13,18,21,23-24,34H,10,28H2,1-2H3,(H,30,31)(H,33,35)/t18-,21-,23+,24-/m1/s1
InChIKeyHWFAOOABGSDLAU-OLOOCYQZSA-N
MW490.54 g/mol
LogP3.59
Rot. Bonds5

About N-[4-[(2R,4R,5S,6R)-4-amino-5-hydroxy-6-propan-2-yloxan-2-yl]-3-pyridinyl]-5-fluoro-6-(1H-pyrrolo[2,3-b]pyridin-5-yl)pyridine-2-carboxamide

N-[4-[(2R,4R,5S,6R)-4-amino-5-hydroxy-6-propan-2-yloxan-2-yl]-3-pyridinyl]-5-fluoro-6-(1H-pyrrolo[2,3-b]pyridin-5-yl)pyridine-2-carboxamide (PubChem CID 56601936) has the molecular formula C26H27FN6O3 and a molecular weight of 490.54 g/mol. Its IUPAC name is N-[4-[(2R,4R,5S,6R)-4-amino-5-hydroxy-6-propan-2-yloxan-2-yl]-3-pyridinyl]-5-fluoro-6-(1H-pyrrolo[2,3-b]pyridin-5-yl)pyridine-2-carboxamide.

Molecular Properties

Compound NameN-[4-[(2R,4R,5S,6R)-4-amino-5-hydroxy-6-propan-2-yloxan-2-yl]-3-pyridinyl]-5-fluoro-6-(1H-pyrrolo[2,3-b]pyridin-5-yl)pyridine-2-carboxamide
PubChem CID56601936
Molecular FormulaC26H27FN6O3
Molecular Weight490.54 g/mol
Exact Mass490.21
IUPAC NameN-[4-[(2R,4R,5S,6R)-4-amino-5-hydroxy-6-propan-2-yloxan-2-yl]-3-pyridinyl]-5-fluoro-6-(1H-pyrrolo[2,3-b]pyridin-5-yl)pyridine-2-carboxamide
SMILESCC(C)[C@H]1O[C@@H](c2ccncc2NC(=O)c2ccc(F)c(-c3cnc4[nH]ccc4c3)n2)C[C@@H](N)[C@@H]1O
InChIInChI=1S/C26H27FN6O3/c1-13(2)24-23(34)18(28)10-21(36-24)16-6-7-29-12-20(16)33-26(35)19-4-3-17(27)22(32-19)15-9-14-5-8-30-25(14)31-11-15/h3-9,11-13,18,21,23-24,34H,10,28H2,1-2H3,(H,30,31)(H,33,35)/t18-,21-,23+,24-/m1/s1
InChIKeyHWFAOOABGSDLAU-OLOOCYQZSA-N
XLogP3.59
TPSA139.04 Ų
H-Bond Donors4
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500490.54
LogP ≤ 53.59
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 107

Analyze N-[4-[(2R,4R,5S,6R)-4-amino-5-hydroxy-6-propan-2-yloxan-2-yl]-3-pyridinyl]-5-fluoro-6-(1H-pyrrolo[2,3-b]pyridin-5-yl)pyridine-2-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-[4-[(2R,4R,5S,6R)-4-amino-5-hydroxy-6-propan-2-yloxan-2-yl]-3-pyridinyl]-5-fluoro-6-(1H-pyrrolo[2,3-b]pyridin-5-yl)pyridine-2-carboxamide?
The IUPAC name of N-[4-[(2R,4R,5S,6R)-4-amino-5-hydroxy-6-propan-2-yloxan-2-yl]-3-pyridinyl]-5-fluoro-6-(1H-pyrrolo[2,3-b]pyridin-5-yl)pyridine-2-carboxamide (CID 56601936) is N-[4-[(2R,4R,5S,6R)-4-amino-5-hydroxy-6-propan-2-yloxan-2-yl]-3-pyridinyl]-5-fluoro-6-(1H-pyrrolo[2,3-b]pyridin-5-yl)pyridine-2-carboxamide.
What is the SMILES notation for N-[4-[(2R,4R,5S,6R)-4-amino-5-hydroxy-6-propan-2-yloxan-2-yl]-3-pyridinyl]-5-fluoro-6-(1H-pyrrolo[2,3-b]pyridin-5-yl)pyridine-2-carboxamide?
The canonical SMILES for N-[4-[(2R,4R,5S,6R)-4-amino-5-hydroxy-6-propan-2-yloxan-2-yl]-3-pyridinyl]-5-fluoro-6-(1H-pyrrolo[2,3-b]pyridin-5-yl)pyridine-2-carboxamide is CC(C)[C@H]1O[C@@H](c2ccncc2NC(=O)c2ccc(F)c(-c3cnc4[nH]ccc4c3)n2)C[C@@H](N)[C@@H]1O.
What is the InChIKey of N-[4-[(2R,4R,5S,6R)-4-amino-5-hydroxy-6-propan-2-yloxan-2-yl]-3-pyridinyl]-5-fluoro-6-(1H-pyrrolo[2,3-b]pyridin-5-yl)pyridine-2-carboxamide?
The InChIKey is HWFAOOABGSDLAU-OLOOCYQZSA-N. The full InChI is InChI=1S/C26H27FN6O3/c1-13(2)24-23(34)18(28)10-21(36-24)16-6-7-29-12-20(16)33-26(35)19-4-3-17(27)22(32-19)15-9-14-5-8-30-25(14)31-11-15/h3-9,11-13,18,21,23-24,34H,10,28H2,1-2H3,(H,30,31)(H,33,35)/t18-,21-,23+,24-/m1/s1.
What are the key properties of N-[4-[(2R,4R,5S,6R)-4-amino-5-hydroxy-6-propan-2-yloxan-2-yl]-3-pyridinyl]-5-fluoro-6-(1H-pyrrolo[2,3-b]pyridin-5-yl)pyridine-2-carboxamide?
N-[4-[(2R,4R,5S,6R)-4-amino-5-hydroxy-6-propan-2-yloxan-2-yl]-3-pyridinyl]-5-fluoro-6-(1H-pyrrolo[2,3-b]pyridin-5-yl)pyridine-2-carboxamide has a molecular weight of 490.54 g/mol, XLogP of 3.59, 5 rotatable bonds, 4 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[(2R,4R,5S,6R)-4-amino-5-hydroxy-6-propan-2-yloxan-2-yl]-3-pyridinyl]-5-fluoro-6-(1H-pyrrolo[2,3-b]pyridin-5-yl)pyridine-2-carboxamide is sourced from PubChem (CID 56601936), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).