N-[1-[[6-chloro-5-(2,4-dimethyl-3-pyridinyl)-2-pyridinyl]amino]-3,3-dicyclopropyl-1-oxopropan-2-yl]-2-propan-2-ylpyrazole-3-carboxamide

C28H33ClN6O2 — CID 174285049

About N-[1-[[6-chloro-5-(2,4-dimethyl-3-pyridinyl)-2-pyridinyl]amino]-3,3-dicyclopropyl-1-oxopropan-2-yl]-2-propan-2-ylpyrazole-3-carboxamide

N-[1-[[6-chloro-5-(2,4-dimethyl-3-pyridinyl)-2-pyridinyl]amino]-3,3-dicyclopropyl-1-oxopropan-2-yl]-2-propan-2-ylpyrazole-3-carboxamide (PubChem CID 174285049) has the molecular formula C28H33ClN6O2 and a molecular weight of 521.07 g/mol. Its IUPAC name is N-[1-[[6-chloro-5-(2,4-dimethyl-3-pyridinyl)-2-pyridinyl]amino]-3,3-dicyclopropyl-1-oxopropan-2-yl]-2-propan-2-ylpyrazole-3-carboxamide.

Molecular Properties

• Compound Name: N-[1-[[6-chloro-5-(2,4-dimethyl-3-pyridinyl)-2-pyridinyl]amino]-3,3-dicyclopropyl-1-oxopropan-2-yl]-2-propan-2-ylpyrazole-3-carboxamide
• PubChem CID: 174285049
• Molecular Formula: C28H33ClN6O2
• Molecular Weight: 521.07 g/mol
• Exact Mass: 520.24
• IUPAC Name: N-[1-[[6-chloro-5-(2,4-dimethyl-3-pyridinyl)-2-pyridinyl]amino]-3,3-dicyclopropyl-1-oxopropan-2-yl]-2-propan-2-ylpyrazole-3-carboxamide
• SMILES: Cc1ccnc(C)c1-c1ccc(NC(=O)C(NC(=O)c2ccnn2C(C)C)C(C2CC2)C2CC2)nc1Cl
• InChI: InChI=1S/C28H33ClN6O2/c1-15(2)35-21(12-14-31-35)27(36)34-25(24(18-5-6-18)19-7-8-19)28(37)33-22-10-9-20(26(29)32-22)23-16(3)11-13-30-17(23)4/h9-15,18-19,24-25H,5-8H2,1-4H3,(H,34,36)(H,32,33,37)
• InChIKey: ONNNDRGMQJFNAX-UHFFFAOYSA-N
• XLogP: 5.36
• TPSA: 101.80 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 6
• Rotatable Bonds: 9
• Heavy Atoms: 37
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	521.07
LogP ≤ 5	5.36
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	6

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of N-[1-[[6-chloro-5-(2,4-dimethyl-3-pyridinyl)-2-pyridinyl]amino]-3,3-dicyclopropyl-1-oxopropan-2-yl]-2-propan-2-ylpyrazole-3-carboxamide?

The IUPAC name of N-[1-[[6-chloro-5-(2,4-dimethyl-3-pyridinyl)-2-pyridinyl]amino]-3,3-dicyclopropyl-1-oxopropan-2-yl]-2-propan-2-ylpyrazole-3-carboxamide (CID 174285049) is N-[1-[[6-chloro-5-(2,4-dimethyl-3-pyridinyl)-2-pyridinyl]amino]-3,3-dicyclopropyl-1-oxopropan-2-yl]-2-propan-2-ylpyrazole-3-carboxamide.

What is the SMILES notation for N-[1-[[6-chloro-5-(2,4-dimethyl-3-pyridinyl)-2-pyridinyl]amino]-3,3-dicyclopropyl-1-oxopropan-2-yl]-2-propan-2-ylpyrazole-3-carboxamide?

The canonical SMILES for N-[1-[[6-chloro-5-(2,4-dimethyl-3-pyridinyl)-2-pyridinyl]amino]-3,3-dicyclopropyl-1-oxopropan-2-yl]-2-propan-2-ylpyrazole-3-carboxamide is Cc1ccnc(C)c1-c1ccc(NC(=O)C(NC(=O)c2ccnn2C(C)C)C(C2CC2)C2CC2)nc1Cl.

What is the InChIKey of N-[1-[[6-chloro-5-(2,4-dimethyl-3-pyridinyl)-2-pyridinyl]amino]-3,3-dicyclopropyl-1-oxopropan-2-yl]-2-propan-2-ylpyrazole-3-carboxamide?

The InChIKey is ONNNDRGMQJFNAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H33ClN6O2/c1-15(2)35-21(12-14-31-35)27(36)34-25(24(18-5-6-18)19-7-8-19)28(37)33-22-10-9-20(26(29)32-22)23-16(3)11-13-30-17(23)4/h9-15,18-19,24-25H,5-8H2,1-4H3,(H,34,36)(H,32,33,37).

What are the key properties of N-[1-[[6-chloro-5-(2,4-dimethyl-3-pyridinyl)-2-pyridinyl]amino]-3,3-dicyclopropyl-1-oxopropan-2-yl]-2-propan-2-ylpyrazole-3-carboxamide?

N-[1-[[6-chloro-5-(2,4-dimethyl-3-pyridinyl)-2-pyridinyl]amino]-3,3-dicyclopropyl-1-oxopropan-2-yl]-2-propan-2-ylpyrazole-3-carboxamide has a molecular weight of 521.07 g/mol, XLogP of 5.36, 9 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for N-[1-[[6-chloro-5-(2,4-dimethyl-3-pyridinyl)-2-pyridinyl]amino]-3,3-dicyclopropyl-1-oxopropan-2-yl]-2-propan-2-ylpyrazole-3-carboxamide is sourced from PubChem (CID 174285049), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).