tert-butyl N-cyclopropyl-N-[(3R)-1-[6-[6-(methoxymethoxy)-2,7-dimethylindazol-5-yl]pyrido[3,2-d]pyrimidin-2-yl]pyrrolidin-3-yl]carbamate

About tert-butyl N-cyclopropyl-N-[(3R)-1-[6-[6-(methoxymethoxy)-2,7-dimethylindazol-5-yl]pyrido[3,2-d]pyrimidin-2-yl]pyrrolidin-3-yl]carbamate

tert-butyl N-cyclopropyl-N-[(3R)-1-[6-[6-(methoxymethoxy)-2,7-dimethylindazol-5-yl]pyrido[3,2-d]pyrimidin-2-yl]pyrrolidin-3-yl]carbamate (PubChem CID 168977584) has the molecular formula C30H37N7O4 and a molecular weight of 559.67 g/mol. Its IUPAC name is tert-butyl N-cyclopropyl-N-[(3R)-1-[6-[6-(methoxymethoxy)-2,7-dimethylindazol-5-yl]pyrido[3,2-d]pyrimidin-2-yl]pyrrolidin-3-yl]carbamate.

Molecular Properties

Compound Name	tert-butyl N-cyclopropyl-N-[(3R)-1-[6-[6-(methoxymethoxy)-2,7-dimethylindazol-5-yl]pyrido[3,2-d]pyrimidin-2-yl]pyrrolidin-3-yl]carbamate
PubChem CID	168977584
Molecular Formula	C30H37N7O4
Molecular Weight	559.67 g/mol
Exact Mass	559.29
IUPAC Name	tert-butyl N-cyclopropyl-N-[(3R)-1-[6-[6-(methoxymethoxy)-2,7-dimethylindazol-5-yl]pyrido[3,2-d]pyrimidin-2-yl]pyrrolidin-3-yl]carbamate
SMILES	COCOc1c(-c2ccc3nc(N4CC[C@@H](N(C(=O)OC(C)(C)C)C5CC5)C4)ncc3n2)cc2cn(C)nc2c1C
InChI	InChI=1S/C30H37N7O4/c1-18-26-19(15-35(5)34-26)13-22(27(18)40-17-39-6)23-9-10-24-25(32-23)14-31-28(33-24)36-12-11-21(16-36)37(20-7-8-20)29(38)41-30(2,3)4/h9-10,13-15,20-21H,7-8,11-12,16-17H2,1-6H3/t21-/m1/s1
InChIKey	FVCDNYQMPWVJDI-OAQYLSRUSA-N
XLogP	4.85
TPSA	107.73 Å²
H-Bond Donors
H-Bond Acceptors	10
Rotatable Bonds	7
Heavy Atoms	41
Complexity	—

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	559.67
LogP ≤ 5	4.85
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	10

Computed Properties (RDKit)

Structural Alerts	{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

Related Compounds

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-cyclopropyl-N-[(3R)-1-[6-[6-(methoxymethoxy)-2,7-dimethylindazol-5-yl]pyrido[3,2-d]pyrimidin-2-yl]pyrrolidin-3-yl]carbamate?

The IUPAC name of tert-butyl N-cyclopropyl-N-[(3R)-1-[6-[6-(methoxymethoxy)-2,7-dimethylindazol-5-yl]pyrido[3,2-d]pyrimidin-2-yl]pyrrolidin-3-yl]carbamate (CID 168977584) is tert-butyl N-cyclopropyl-N-[(3R)-1-[6-[6-(methoxymethoxy)-2,7-dimethylindazol-5-yl]pyrido[3,2-d]pyrimidin-2-yl]pyrrolidin-3-yl]carbamate.

What is the SMILES notation for tert-butyl N-cyclopropyl-N-[(3R)-1-[6-[6-(methoxymethoxy)-2,7-dimethylindazol-5-yl]pyrido[3,2-d]pyrimidin-2-yl]pyrrolidin-3-yl]carbamate?

The canonical SMILES for tert-butyl N-cyclopropyl-N-[(3R)-1-[6-[6-(methoxymethoxy)-2,7-dimethylindazol-5-yl]pyrido[3,2-d]pyrimidin-2-yl]pyrrolidin-3-yl]carbamate is COCOc1c(-c2ccc3nc(N4CC[C@@H](N(C(=O)OC(C)(C)C)C5CC5)C4)ncc3n2)cc2cn(C)nc2c1C.

What is the InChIKey of tert-butyl N-cyclopropyl-N-[(3R)-1-[6-[6-(methoxymethoxy)-2,7-dimethylindazol-5-yl]pyrido[3,2-d]pyrimidin-2-yl]pyrrolidin-3-yl]carbamate?

The InChIKey is FVCDNYQMPWVJDI-OAQYLSRUSA-N. The full InChI is InChI=1S/C30H37N7O4/c1-18-26-19(15-35(5)34-26)13-22(27(18)40-17-39-6)23-9-10-24-25(32-23)14-31-28(33-24)36-12-11-21(16-36)37(20-7-8-20)29(38)41-30(2,3)4/h9-10,13-15,20-21H,7-8,11-12,16-17H2,1-6H3/t21-/m1/s1.

What are the key properties of tert-butyl N-cyclopropyl-N-[(3R)-1-[6-[6-(methoxymethoxy)-2,7-dimethylindazol-5-yl]pyrido[3,2-d]pyrimidin-2-yl]pyrrolidin-3-yl]carbamate?

tert-butyl N-cyclopropyl-N-[(3R)-1-[6-[6-(methoxymethoxy)-2,7-dimethylindazol-5-yl]pyrido[3,2-d]pyrimidin-2-yl]pyrrolidin-3-yl]carbamate has a molecular weight of 559.67 g/mol, XLogP of 4.85, 7 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for tert-butyl N-cyclopropyl-N-[(3R)-1-[6-[6-(methoxymethoxy)-2,7-dimethylindazol-5-yl]pyrido[3,2-d]pyrimidin-2-yl]pyrrolidin-3-yl]carbamate is sourced from PubChem (CID 168977584), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).