tert-butyl N-[1-[2-[7-chloro-1-(cyclopropylmethyl)pyrrolo[2,3-c]pyridin-2-yl]-3-methylpyrazolo[1,5-a]pyridine-6-carbonyl]piperidin-3-yl]carbamate

C30H35ClN6O3 — CID 175355199

About tert-butyl N-[1-[2-[7-chloro-1-(cyclopropylmethyl)pyrrolo[2,3-c]pyridin-2-yl]-3-methylpyrazolo[1,5-a]pyridine-6-carbonyl]piperidin-3-yl]carbamate

tert-butyl N-[1-[2-[7-chloro-1-(cyclopropylmethyl)pyrrolo[2,3-c]pyridin-2-yl]-3-methylpyrazolo[1,5-a]pyridine-6-carbonyl]piperidin-3-yl]carbamate (PubChem CID 175355199) has the molecular formula C30H35ClN6O3 and a molecular weight of 563.10 g/mol. Its IUPAC name is tert-butyl N-[1-[2-[7-chloro-1-(cyclopropylmethyl)pyrrolo[2,3-c]pyridin-2-yl]-3-methylpyrazolo[1,5-a]pyridine-6-carbonyl]piperidin-3-yl]carbamate.

Molecular Properties

• Compound Name: tert-butyl N-[1-[2-[7-chloro-1-(cyclopropylmethyl)pyrrolo[2,3-c]pyridin-2-yl]-3-methylpyrazolo[1,5-a]pyridine-6-carbonyl]piperidin-3-yl]carbamate
• PubChem CID: 175355199
• Molecular Formula: C30H35ClN6O3
• Molecular Weight: 563.10 g/mol
• Exact Mass: 562.25
• IUPAC Name: tert-butyl N-[1-[2-[7-chloro-1-(cyclopropylmethyl)pyrrolo[2,3-c]pyridin-2-yl]-3-methylpyrazolo[1,5-a]pyridine-6-carbonyl]piperidin-3-yl]carbamate
• SMILES: Cc1c(-c2cc3ccnc(Cl)c3n2CC2CC2)nn2cc(C(=O)N3CCCC(NC(=O)OC(C)(C)C)C3)ccc12
• InChI: InChI=1S/C30H35ClN6O3/c1-18-23-10-9-21(28(38)35-13-5-6-22(17-35)33-29(39)40-30(2,3)4)16-37(23)34-25(18)24-14-20-11-12-32-27(31)26(20)36(24)15-19-7-8-19/h9-12,14,16,19,22H,5-8,13,15,17H2,1-4H3,(H,33,39)
• InChIKey: LJJQWWWIVUUFNL-UHFFFAOYSA-N
• XLogP: 5.85
• TPSA: 93.76 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 5
• Heavy Atoms: 40
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	563.10
LogP ≤ 5	5.85
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[1-[2-[7-chloro-1-(cyclopropylmethyl)pyrrolo[2,3-c]pyridin-2-yl]-3-methylpyrazolo[1,5-a]pyridine-6-carbonyl]piperidin-3-yl]carbamate?

The IUPAC name of tert-butyl N-[1-[2-[7-chloro-1-(cyclopropylmethyl)pyrrolo[2,3-c]pyridin-2-yl]-3-methylpyrazolo[1,5-a]pyridine-6-carbonyl]piperidin-3-yl]carbamate (CID 175355199) is tert-butyl N-[1-[2-[7-chloro-1-(cyclopropylmethyl)pyrrolo[2,3-c]pyridin-2-yl]-3-methylpyrazolo[1,5-a]pyridine-6-carbonyl]piperidin-3-yl]carbamate.

What is the SMILES notation for tert-butyl N-[1-[2-[7-chloro-1-(cyclopropylmethyl)pyrrolo[2,3-c]pyridin-2-yl]-3-methylpyrazolo[1,5-a]pyridine-6-carbonyl]piperidin-3-yl]carbamate?

The canonical SMILES for tert-butyl N-[1-[2-[7-chloro-1-(cyclopropylmethyl)pyrrolo[2,3-c]pyridin-2-yl]-3-methylpyrazolo[1,5-a]pyridine-6-carbonyl]piperidin-3-yl]carbamate is Cc1c(-c2cc3ccnc(Cl)c3n2CC2CC2)nn2cc(C(=O)N3CCCC(NC(=O)OC(C)(C)C)C3)ccc12.

What is the InChIKey of tert-butyl N-[1-[2-[7-chloro-1-(cyclopropylmethyl)pyrrolo[2,3-c]pyridin-2-yl]-3-methylpyrazolo[1,5-a]pyridine-6-carbonyl]piperidin-3-yl]carbamate?

The InChIKey is LJJQWWWIVUUFNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H35ClN6O3/c1-18-23-10-9-21(28(38)35-13-5-6-22(17-35)33-29(39)40-30(2,3)4)16-37(23)34-25(18)24-14-20-11-12-32-27(31)26(20)36(24)15-19-7-8-19/h9-12,14,16,19,22H,5-8,13,15,17H2,1-4H3,(H,33,39).

What are the key properties of tert-butyl N-[1-[2-[7-chloro-1-(cyclopropylmethyl)pyrrolo[2,3-c]pyridin-2-yl]-3-methylpyrazolo[1,5-a]pyridine-6-carbonyl]piperidin-3-yl]carbamate?

tert-butyl N-[1-[2-[7-chloro-1-(cyclopropylmethyl)pyrrolo[2,3-c]pyridin-2-yl]-3-methylpyrazolo[1,5-a]pyridine-6-carbonyl]piperidin-3-yl]carbamate has a molecular weight of 563.10 g/mol, XLogP of 5.85, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for tert-butyl N-[1-[2-[7-chloro-1-(cyclopropylmethyl)pyrrolo[2,3-c]pyridin-2-yl]-3-methylpyrazolo[1,5-a]pyridine-6-carbonyl]piperidin-3-yl]carbamate is sourced from PubChem (CID 175355199), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).