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

C28H28ClN5O2 — CID 164603357

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

N-[(1R,2R)-7-chloro-2-[(3R)-3-methoxypyrrolidin-1-yl]-2,3-dihydro-1H-inden-1-yl]-6-(3-methyl-1H-pyrrolo[2,3-b]pyridin-4-yl)pyridine-3-carboxamide (PubChem CID 164603357) has the molecular formula C28H28ClN5O2 and a molecular weight of 502.02 g/mol. Its IUPAC name is N-[(1R,2R)-7-chloro-2-[(3R)-3-methoxypyrrolidin-1-yl]-2,3-dihydro-1H-inden-1-yl]-6-(3-methyl-1H-pyrrolo[2,3-b]pyridin-4-yl)pyridine-3-carboxamide.

Molecular Properties

• Compound Name: N-[(1R,2R)-7-chloro-2-[(3R)-3-methoxypyrrolidin-1-yl]-2,3-dihydro-1H-inden-1-yl]-6-(3-methyl-1H-pyrrolo[2,3-b]pyridin-4-yl)pyridine-3-carboxamide
• PubChem CID: 164603357
• Molecular Formula: C28H28ClN5O2
• Molecular Weight: 502.02 g/mol
• Exact Mass: 501.19
• IUPAC Name: N-[(1R,2R)-7-chloro-2-[(3R)-3-methoxypyrrolidin-1-yl]-2,3-dihydro-1H-inden-1-yl]-6-(3-methyl-1H-pyrrolo[2,3-b]pyridin-4-yl)pyridine-3-carboxamide
• SMILES: CO[C@@H]1CCN([C@@H]2Cc3cccc(Cl)c3[C@H]2NC(=O)c2ccc(-c3ccnc4[nH]cc(C)c34)nc2)C1
• InChI: InChI=1S/C28H28ClN5O2/c1-16-13-32-27-24(16)20(8-10-30-27)22-7-6-18(14-31-22)28(35)33-26-23(34-11-9-19(15-34)36-2)12-17-4-3-5-21(29)25(17)26/h3-8,10,13-14,19,23,26H,9,11-12,15H2,1-2H3,(H,30,32)(H,33,35)/t19-,23-,26+/m1/s1
• InChIKey: KMMNSKJVMNWTLO-RTGAMMJTSA-N
• XLogP: 4.70
• TPSA: 83.14 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 5
• Rotatable Bonds: 5
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	502.02
LogP ≤ 5	4.70
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of N-[(1R,2R)-7-chloro-2-[(3R)-3-methoxypyrrolidin-1-yl]-2,3-dihydro-1H-inden-1-yl]-6-(3-methyl-1H-pyrrolo[2,3-b]pyridin-4-yl)pyridine-3-carboxamide?

The IUPAC name of N-[(1R,2R)-7-chloro-2-[(3R)-3-methoxypyrrolidin-1-yl]-2,3-dihydro-1H-inden-1-yl]-6-(3-methyl-1H-pyrrolo[2,3-b]pyridin-4-yl)pyridine-3-carboxamide (CID 164603357) is N-[(1R,2R)-7-chloro-2-[(3R)-3-methoxypyrrolidin-1-yl]-2,3-dihydro-1H-inden-1-yl]-6-(3-methyl-1H-pyrrolo[2,3-b]pyridin-4-yl)pyridine-3-carboxamide.

What is the SMILES notation for N-[(1R,2R)-7-chloro-2-[(3R)-3-methoxypyrrolidin-1-yl]-2,3-dihydro-1H-inden-1-yl]-6-(3-methyl-1H-pyrrolo[2,3-b]pyridin-4-yl)pyridine-3-carboxamide?

The canonical SMILES for N-[(1R,2R)-7-chloro-2-[(3R)-3-methoxypyrrolidin-1-yl]-2,3-dihydro-1H-inden-1-yl]-6-(3-methyl-1H-pyrrolo[2,3-b]pyridin-4-yl)pyridine-3-carboxamide is CO[C@@H]1CCN([C@@H]2Cc3cccc(Cl)c3[C@H]2NC(=O)c2ccc(-c3ccnc4[nH]cc(C)c34)nc2)C1.

What is the InChIKey of N-[(1R,2R)-7-chloro-2-[(3R)-3-methoxypyrrolidin-1-yl]-2,3-dihydro-1H-inden-1-yl]-6-(3-methyl-1H-pyrrolo[2,3-b]pyridin-4-yl)pyridine-3-carboxamide?

The InChIKey is KMMNSKJVMNWTLO-RTGAMMJTSA-N. The full InChI is InChI=1S/C28H28ClN5O2/c1-16-13-32-27-24(16)20(8-10-30-27)22-7-6-18(14-31-22)28(35)33-26-23(34-11-9-19(15-34)36-2)12-17-4-3-5-21(29)25(17)26/h3-8,10,13-14,19,23,26H,9,11-12,15H2,1-2H3,(H,30,32)(H,33,35)/t19-,23-,26+/m1/s1.

What are the key properties of N-[(1R,2R)-7-chloro-2-[(3R)-3-methoxypyrrolidin-1-yl]-2,3-dihydro-1H-inden-1-yl]-6-(3-methyl-1H-pyrrolo[2,3-b]pyridin-4-yl)pyridine-3-carboxamide?

N-[(1R,2R)-7-chloro-2-[(3R)-3-methoxypyrrolidin-1-yl]-2,3-dihydro-1H-inden-1-yl]-6-(3-methyl-1H-pyrrolo[2,3-b]pyridin-4-yl)pyridine-3-carboxamide has a molecular weight of 502.02 g/mol, XLogP of 4.70, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for N-[(1R,2R)-7-chloro-2-[(3R)-3-methoxypyrrolidin-1-yl]-2,3-dihydro-1H-inden-1-yl]-6-(3-methyl-1H-pyrrolo[2,3-b]pyridin-4-yl)pyridine-3-carboxamide is sourced from PubChem (CID 164603357), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).