5-[6-[(3R)-3-(tert-butylamino)pyrrolidin-1-yl]-1,5-naphthyridin-2-yl]-2,7-dimethylindazol-6-ol

C25H30N6O — CID 162433576

IUPAC5-[6-[(3R)-3-(tert-butylamino)pyrrolidin-1-yl]-1,5-naphthyridin-2-yl]-2,7-dimethylindazol-6-ol
SMILESCc1c(O)c(-c2ccc3nc(N4CC[C@@H](NC(C)(C)C)C4)ccc3n2)cc2cn(C)nc12
InChIInChI=1S/C25H30N6O/c1-15-23-16(13-30(5)29-23)12-18(24(15)32)19-6-7-21-20(26-19)8-9-22(27-21)31-11-10-17(14-31)28-25(2,3)4/h6-9,12-13,17,28,32H,10-11,14H2,1-5H3/t17-/m1/s1
InChIKeyWCRKPVYSTKCTOL-QGZVFWFLSA-N
MW430.56 g/mol
LogP4.16
Rot. Bonds3

About 5-[6-[(3R)-3-(tert-butylamino)pyrrolidin-1-yl]-1,5-naphthyridin-2-yl]-2,7-dimethylindazol-6-ol

5-[6-[(3R)-3-(tert-butylamino)pyrrolidin-1-yl]-1,5-naphthyridin-2-yl]-2,7-dimethylindazol-6-ol (PubChem CID 162433576) has the molecular formula C25H30N6O and a molecular weight of 430.56 g/mol. Its IUPAC name is 5-[6-[(3R)-3-(tert-butylamino)pyrrolidin-1-yl]-1,5-naphthyridin-2-yl]-2,7-dimethylindazol-6-ol.

Molecular Properties

Compound Name5-[6-[(3R)-3-(tert-butylamino)pyrrolidin-1-yl]-1,5-naphthyridin-2-yl]-2,7-dimethylindazol-6-ol
PubChem CID162433576
Molecular FormulaC25H30N6O
Molecular Weight430.56 g/mol
Exact Mass430.25
IUPAC Name5-[6-[(3R)-3-(tert-butylamino)pyrrolidin-1-yl]-1,5-naphthyridin-2-yl]-2,7-dimethylindazol-6-ol
SMILESCc1c(O)c(-c2ccc3nc(N4CC[C@@H](NC(C)(C)C)C4)ccc3n2)cc2cn(C)nc12
InChIInChI=1S/C25H30N6O/c1-15-23-16(13-30(5)29-23)12-18(24(15)32)19-6-7-21-20(26-19)8-9-22(27-21)31-11-10-17(14-31)28-25(2,3)4/h6-9,12-13,17,28,32H,10-11,14H2,1-5H3/t17-/m1/s1
InChIKeyWCRKPVYSTKCTOL-QGZVFWFLSA-N
XLogP4.16
TPSA79.10 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.56
LogP ≤ 54.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 5-[6-[(3R)-3-(tert-butylamino)pyrrolidin-1-yl]-1,5-naphthyridin-2-yl]-2,7-dimethylindazol-6-ol?
The IUPAC name of 5-[6-[(3R)-3-(tert-butylamino)pyrrolidin-1-yl]-1,5-naphthyridin-2-yl]-2,7-dimethylindazol-6-ol (CID 162433576) is 5-[6-[(3R)-3-(tert-butylamino)pyrrolidin-1-yl]-1,5-naphthyridin-2-yl]-2,7-dimethylindazol-6-ol.
What is the SMILES notation for 5-[6-[(3R)-3-(tert-butylamino)pyrrolidin-1-yl]-1,5-naphthyridin-2-yl]-2,7-dimethylindazol-6-ol?
The canonical SMILES for 5-[6-[(3R)-3-(tert-butylamino)pyrrolidin-1-yl]-1,5-naphthyridin-2-yl]-2,7-dimethylindazol-6-ol is Cc1c(O)c(-c2ccc3nc(N4CC[C@@H](NC(C)(C)C)C4)ccc3n2)cc2cn(C)nc12.
What is the InChIKey of 5-[6-[(3R)-3-(tert-butylamino)pyrrolidin-1-yl]-1,5-naphthyridin-2-yl]-2,7-dimethylindazol-6-ol?
The InChIKey is WCRKPVYSTKCTOL-QGZVFWFLSA-N. The full InChI is InChI=1S/C25H30N6O/c1-15-23-16(13-30(5)29-23)12-18(24(15)32)19-6-7-21-20(26-19)8-9-22(27-21)31-11-10-17(14-31)28-25(2,3)4/h6-9,12-13,17,28,32H,10-11,14H2,1-5H3/t17-/m1/s1.
What are the key properties of 5-[6-[(3R)-3-(tert-butylamino)pyrrolidin-1-yl]-1,5-naphthyridin-2-yl]-2,7-dimethylindazol-6-ol?
5-[6-[(3R)-3-(tert-butylamino)pyrrolidin-1-yl]-1,5-naphthyridin-2-yl]-2,7-dimethylindazol-6-ol has a molecular weight of 430.56 g/mol, XLogP of 4.16, 3 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[6-[(3R)-3-(tert-butylamino)pyrrolidin-1-yl]-1,5-naphthyridin-2-yl]-2,7-dimethylindazol-6-ol is sourced from PubChem (CID 162433576), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).