tert-butyl N-[5-[3-methyl-5-(2-methyl-1,7-naphthyridin-4-yl)-6,7-dihydro-4H-pyrazolo[4,5-c]pyridin-1-yl]pentyl]carbamate

C26H36N6O2 — CID 139311068

IUPACtert-butyl N-[5-[3-methyl-5-(2-methyl-1,7-naphthyridin-4-yl)-6,7-dihydro-4H-pyrazolo[4,5-c]pyridin-1-yl]pentyl]carbamate
SMILESCc1cc(N2CCc3c(c(C)nn3CCCCCNC(=O)OC(C)(C)C)C2)c2ccncc2n1
InChIInChI=1S/C26H36N6O2/c1-18-15-24(20-9-12-27-16-22(20)29-18)31-14-10-23-21(17-31)19(2)30-32(23)13-8-6-7-11-28-25(33)34-26(3,4)5/h9,12,15-16H,6-8,10-11,13-14,17H2,1-5H3,(H,28,33)
InChIKeyJYVLLGBCFQODNY-UHFFFAOYSA-N
MW464.61 g/mol
LogP4.70
Rot. Bonds7

About tert-butyl N-[5-[3-methyl-5-(2-methyl-1,7-naphthyridin-4-yl)-6,7-dihydro-4H-pyrazolo[4,5-c]pyridin-1-yl]pentyl]carbamate

tert-butyl N-[5-[3-methyl-5-(2-methyl-1,7-naphthyridin-4-yl)-6,7-dihydro-4H-pyrazolo[4,5-c]pyridin-1-yl]pentyl]carbamate (PubChem CID 139311068) has the molecular formula C26H36N6O2 and a molecular weight of 464.61 g/mol. Its IUPAC name is tert-butyl N-[5-[3-methyl-5-(2-methyl-1,7-naphthyridin-4-yl)-6,7-dihydro-4H-pyrazolo[4,5-c]pyridin-1-yl]pentyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[5-[3-methyl-5-(2-methyl-1,7-naphthyridin-4-yl)-6,7-dihydro-4H-pyrazolo[4,5-c]pyridin-1-yl]pentyl]carbamate
PubChem CID139311068
Molecular FormulaC26H36N6O2
Molecular Weight464.61 g/mol
Exact Mass464.29
IUPAC Nametert-butyl N-[5-[3-methyl-5-(2-methyl-1,7-naphthyridin-4-yl)-6,7-dihydro-4H-pyrazolo[4,5-c]pyridin-1-yl]pentyl]carbamate
SMILESCc1cc(N2CCc3c(c(C)nn3CCCCCNC(=O)OC(C)(C)C)C2)c2ccncc2n1
InChIInChI=1S/C26H36N6O2/c1-18-15-24(20-9-12-27-16-22(20)29-18)31-14-10-23-21(17-31)19(2)30-32(23)13-8-6-7-11-28-25(33)34-26(3,4)5/h9,12,15-16H,6-8,10-11,13-14,17H2,1-5H3,(H,28,33)
InChIKeyJYVLLGBCFQODNY-UHFFFAOYSA-N
XLogP4.70
TPSA85.17 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500464.61
LogP ≤ 54.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[5-[3-methyl-5-(2-methyl-1,7-naphthyridin-4-yl)-6,7-dihydro-4H-pyrazolo[4,5-c]pyridin-1-yl]pentyl]carbamate?
The IUPAC name of tert-butyl N-[5-[3-methyl-5-(2-methyl-1,7-naphthyridin-4-yl)-6,7-dihydro-4H-pyrazolo[4,5-c]pyridin-1-yl]pentyl]carbamate (CID 139311068) is tert-butyl N-[5-[3-methyl-5-(2-methyl-1,7-naphthyridin-4-yl)-6,7-dihydro-4H-pyrazolo[4,5-c]pyridin-1-yl]pentyl]carbamate.
What is the SMILES notation for tert-butyl N-[5-[3-methyl-5-(2-methyl-1,7-naphthyridin-4-yl)-6,7-dihydro-4H-pyrazolo[4,5-c]pyridin-1-yl]pentyl]carbamate?
The canonical SMILES for tert-butyl N-[5-[3-methyl-5-(2-methyl-1,7-naphthyridin-4-yl)-6,7-dihydro-4H-pyrazolo[4,5-c]pyridin-1-yl]pentyl]carbamate is Cc1cc(N2CCc3c(c(C)nn3CCCCCNC(=O)OC(C)(C)C)C2)c2ccncc2n1.
What is the InChIKey of tert-butyl N-[5-[3-methyl-5-(2-methyl-1,7-naphthyridin-4-yl)-6,7-dihydro-4H-pyrazolo[4,5-c]pyridin-1-yl]pentyl]carbamate?
The InChIKey is JYVLLGBCFQODNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H36N6O2/c1-18-15-24(20-9-12-27-16-22(20)29-18)31-14-10-23-21(17-31)19(2)30-32(23)13-8-6-7-11-28-25(33)34-26(3,4)5/h9,12,15-16H,6-8,10-11,13-14,17H2,1-5H3,(H,28,33).
What are the key properties of tert-butyl N-[5-[3-methyl-5-(2-methyl-1,7-naphthyridin-4-yl)-6,7-dihydro-4H-pyrazolo[4,5-c]pyridin-1-yl]pentyl]carbamate?
tert-butyl N-[5-[3-methyl-5-(2-methyl-1,7-naphthyridin-4-yl)-6,7-dihydro-4H-pyrazolo[4,5-c]pyridin-1-yl]pentyl]carbamate has a molecular weight of 464.61 g/mol, XLogP of 4.70, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[5-[3-methyl-5-(2-methyl-1,7-naphthyridin-4-yl)-6,7-dihydro-4H-pyrazolo[4,5-c]pyridin-1-yl]pentyl]carbamate is sourced from PubChem (CID 139311068), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).