N-[(1R,2R)-7-fluoro-2-pyrrolidin-1-yl-2,3-dihydro-1H-inden-1-yl]-6-(3-fluoro-1H-pyrrolo[2,3-b]pyridin-4-yl)pyridine-3-carboxamide

C26H23F2N5O — CID 164603533

IUPACN-[(1R,2R)-7-fluoro-2-pyrrolidin-1-yl-2,3-dihydro-1H-inden-1-yl]-6-(3-fluoro-1H-pyrrolo[2,3-b]pyridin-4-yl)pyridine-3-carboxamide
SMILESO=C(N[C@@H]1c2c(F)cccc2C[C@H]1N1CCCC1)c1ccc(-c2ccnc3[nH]cc(F)c23)nc1
InChIInChI=1S/C26H23F2N5O/c27-18-5-3-4-15-12-21(33-10-1-2-11-33)24(22(15)18)32-26(34)16-6-7-20(30-13-16)17-8-9-29-25-23(17)19(28)14-31-25/h3-9,13-14,21,24H,1-2,10-12H2,(H,29,31)(H,32,34)/t21-,24+/m1/s1
InChIKeyZNZGFPBZZFGHOG-QPPBQGQZSA-N
MW459.50 g/mol
LogP4.39
Rot. Bonds4

About N-[(1R,2R)-7-fluoro-2-pyrrolidin-1-yl-2,3-dihydro-1H-inden-1-yl]-6-(3-fluoro-1H-pyrrolo[2,3-b]pyridin-4-yl)pyridine-3-carboxamide

N-[(1R,2R)-7-fluoro-2-pyrrolidin-1-yl-2,3-dihydro-1H-inden-1-yl]-6-(3-fluoro-1H-pyrrolo[2,3-b]pyridin-4-yl)pyridine-3-carboxamide (PubChem CID 164603533) has the molecular formula C26H23F2N5O and a molecular weight of 459.50 g/mol. Its IUPAC name is N-[(1R,2R)-7-fluoro-2-pyrrolidin-1-yl-2,3-dihydro-1H-inden-1-yl]-6-(3-fluoro-1H-pyrrolo[2,3-b]pyridin-4-yl)pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[(1R,2R)-7-fluoro-2-pyrrolidin-1-yl-2,3-dihydro-1H-inden-1-yl]-6-(3-fluoro-1H-pyrrolo[2,3-b]pyridin-4-yl)pyridine-3-carboxamide
PubChem CID164603533
Molecular FormulaC26H23F2N5O
Molecular Weight459.50 g/mol
Exact Mass459.19
IUPAC NameN-[(1R,2R)-7-fluoro-2-pyrrolidin-1-yl-2,3-dihydro-1H-inden-1-yl]-6-(3-fluoro-1H-pyrrolo[2,3-b]pyridin-4-yl)pyridine-3-carboxamide
SMILESO=C(N[C@@H]1c2c(F)cccc2C[C@H]1N1CCCC1)c1ccc(-c2ccnc3[nH]cc(F)c23)nc1
InChIInChI=1S/C26H23F2N5O/c27-18-5-3-4-15-12-21(33-10-1-2-11-33)24(22(15)18)32-26(34)16-6-7-20(30-13-16)17-8-9-29-25-23(17)19(28)14-31-25/h3-9,13-14,21,24H,1-2,10-12H2,(H,29,31)(H,32,34)/t21-,24+/m1/s1
InChIKeyZNZGFPBZZFGHOG-QPPBQGQZSA-N
XLogP4.39
TPSA73.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500459.50
LogP ≤ 54.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze N-[(1R,2R)-7-fluoro-2-pyrrolidin-1-yl-2,3-dihydro-1H-inden-1-yl]-6-(3-fluoro-1H-pyrrolo[2,3-b]pyridin-4-yl)pyridine-3-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-[(1R,2R)-7-fluoro-2-pyrrolidin-1-yl-2,3-dihydro-1H-inden-1-yl]-6-(3-fluoro-1H-pyrrolo[2,3-b]pyridin-4-yl)pyridine-3-carboxamide?
The IUPAC name of N-[(1R,2R)-7-fluoro-2-pyrrolidin-1-yl-2,3-dihydro-1H-inden-1-yl]-6-(3-fluoro-1H-pyrrolo[2,3-b]pyridin-4-yl)pyridine-3-carboxamide (CID 164603533) is N-[(1R,2R)-7-fluoro-2-pyrrolidin-1-yl-2,3-dihydro-1H-inden-1-yl]-6-(3-fluoro-1H-pyrrolo[2,3-b]pyridin-4-yl)pyridine-3-carboxamide.
What is the SMILES notation for N-[(1R,2R)-7-fluoro-2-pyrrolidin-1-yl-2,3-dihydro-1H-inden-1-yl]-6-(3-fluoro-1H-pyrrolo[2,3-b]pyridin-4-yl)pyridine-3-carboxamide?
The canonical SMILES for N-[(1R,2R)-7-fluoro-2-pyrrolidin-1-yl-2,3-dihydro-1H-inden-1-yl]-6-(3-fluoro-1H-pyrrolo[2,3-b]pyridin-4-yl)pyridine-3-carboxamide is O=C(N[C@@H]1c2c(F)cccc2C[C@H]1N1CCCC1)c1ccc(-c2ccnc3[nH]cc(F)c23)nc1.
What is the InChIKey of N-[(1R,2R)-7-fluoro-2-pyrrolidin-1-yl-2,3-dihydro-1H-inden-1-yl]-6-(3-fluoro-1H-pyrrolo[2,3-b]pyridin-4-yl)pyridine-3-carboxamide?
The InChIKey is ZNZGFPBZZFGHOG-QPPBQGQZSA-N. The full InChI is InChI=1S/C26H23F2N5O/c27-18-5-3-4-15-12-21(33-10-1-2-11-33)24(22(15)18)32-26(34)16-6-7-20(30-13-16)17-8-9-29-25-23(17)19(28)14-31-25/h3-9,13-14,21,24H,1-2,10-12H2,(H,29,31)(H,32,34)/t21-,24+/m1/s1.
What are the key properties of N-[(1R,2R)-7-fluoro-2-pyrrolidin-1-yl-2,3-dihydro-1H-inden-1-yl]-6-(3-fluoro-1H-pyrrolo[2,3-b]pyridin-4-yl)pyridine-3-carboxamide?
N-[(1R,2R)-7-fluoro-2-pyrrolidin-1-yl-2,3-dihydro-1H-inden-1-yl]-6-(3-fluoro-1H-pyrrolo[2,3-b]pyridin-4-yl)pyridine-3-carboxamide has a molecular weight of 459.50 g/mol, XLogP of 4.39, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R,2R)-7-fluoro-2-pyrrolidin-1-yl-2,3-dihydro-1H-inden-1-yl]-6-(3-fluoro-1H-pyrrolo[2,3-b]pyridin-4-yl)pyridine-3-carboxamide is sourced from PubChem (CID 164603533), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).