tert-butyl N-[1-[6-(7-fluoro-6-methoxy-2-methylindazol-5-yl)-1,5-naphthyridin-2-yl]pyrrolidin-3-yl]carbamate

C26H29FN6O3 — CID 162433546

IUPACtert-butyl N-[1-[6-(7-fluoro-6-methoxy-2-methylindazol-5-yl)-1,5-naphthyridin-2-yl]pyrrolidin-3-yl]carbamate
SMILESCOc1c(-c2ccc3nc(N4CCC(NC(=O)OC(C)(C)C)C4)ccc3n2)cc2cn(C)nc2c1F
InChIInChI=1S/C26H29FN6O3/c1-26(2,3)36-25(34)28-16-10-11-33(14-16)21-9-8-19-20(30-21)7-6-18(29-19)17-12-15-13-32(4)31-23(15)22(27)24(17)35-5/h6-9,12-13,16H,10-11,14H2,1-5H3,(H,28,34)
InChIKeyKXDSFOOCFRYBDM-UHFFFAOYSA-N
MW492.56 g/mol
LogP4.43
Rot. Bonds4

About tert-butyl N-[1-[6-(7-fluoro-6-methoxy-2-methylindazol-5-yl)-1,5-naphthyridin-2-yl]pyrrolidin-3-yl]carbamate

tert-butyl N-[1-[6-(7-fluoro-6-methoxy-2-methylindazol-5-yl)-1,5-naphthyridin-2-yl]pyrrolidin-3-yl]carbamate (PubChem CID 162433546) has the molecular formula C26H29FN6O3 and a molecular weight of 492.56 g/mol. Its IUPAC name is tert-butyl N-[1-[6-(7-fluoro-6-methoxy-2-methylindazol-5-yl)-1,5-naphthyridin-2-yl]pyrrolidin-3-yl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[1-[6-(7-fluoro-6-methoxy-2-methylindazol-5-yl)-1,5-naphthyridin-2-yl]pyrrolidin-3-yl]carbamate
PubChem CID162433546
Molecular FormulaC26H29FN6O3
Molecular Weight492.56 g/mol
Exact Mass492.23
IUPAC Nametert-butyl N-[1-[6-(7-fluoro-6-methoxy-2-methylindazol-5-yl)-1,5-naphthyridin-2-yl]pyrrolidin-3-yl]carbamate
SMILESCOc1c(-c2ccc3nc(N4CCC(NC(=O)OC(C)(C)C)C4)ccc3n2)cc2cn(C)nc2c1F
InChIInChI=1S/C26H29FN6O3/c1-26(2,3)36-25(34)28-16-10-11-33(14-16)21-9-8-19-20(30-21)7-6-18(29-19)17-12-15-13-32(4)31-23(15)22(27)24(17)35-5/h6-9,12-13,16H,10-11,14H2,1-5H3,(H,28,34)
InChIKeyKXDSFOOCFRYBDM-UHFFFAOYSA-N
XLogP4.43
TPSA94.40 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500492.56
LogP ≤ 54.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze tert-butyl N-[1-[6-(7-fluoro-6-methoxy-2-methylindazol-5-yl)-1,5-naphthyridin-2-yl]pyrrolidin-3-yl]carbamate with MolForge

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Related Compounds

M-4076
CID 122599280
DNA-PK-IN-11
CID 56847587
(1S,3S)-N-(7-Methoxy-4-methylquinolin-2-yl)-N'-[(1-methyl-1H-pyrrolo[3,2-b]pyridin-3-yl)methyl]cyclopentane-1,3-diamine
CID 23657037
1-[4-[4-[[9-(4-Methoxyphenyl)-8-methyl-5,6-dihydropyrazolo[3,4-h]quinazolin-2-yl]amino]pyrazol-1-yl]piperidin-1-yl]ethanone
CID 56602846
3-Fluoro-4-[7-methoxy-3-methyl-8-(2-methylpyrazol-3-yl)-2-oxoimidazo[4,5-c]quinolin-1-yl]benzonitrile
CID 56847640
3-Fluoro-4-[7-methoxy-3-methyl-8-[2-methyl-5-(trifluoromethyl)pyrazol-3-yl]-2-oxoimidazo[4,5-c]quinolin-1-yl]benzonitrile
CID 56847642
5-[(2,6-difluoro-3,5-dimethoxy-N-[7-(1-methylpyrazol-4-yl)-1,5-naphthyridin-2-yl]anilino)methyl]pyrrolidin-2-one
CID 89534029
1-[(3R)-1-[(2-fluoro-6-methoxyphenyl)methyl]piperidin-3-yl]-3-[3-(2-methylindazol-5-yl)-1H-pyrazolo[4,3-c]pyridin-6-yl]urea
CID 92044906
US9884048, Example 56
CID 121416619
US10457677, Example 114
CID 122589327
US10457677, Example 129
CID 122589331
US10457677, Example 33
CID 122589364

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[1-[6-(7-fluoro-6-methoxy-2-methylindazol-5-yl)-1,5-naphthyridin-2-yl]pyrrolidin-3-yl]carbamate?
The IUPAC name of tert-butyl N-[1-[6-(7-fluoro-6-methoxy-2-methylindazol-5-yl)-1,5-naphthyridin-2-yl]pyrrolidin-3-yl]carbamate (CID 162433546) is tert-butyl N-[1-[6-(7-fluoro-6-methoxy-2-methylindazol-5-yl)-1,5-naphthyridin-2-yl]pyrrolidin-3-yl]carbamate.
What is the SMILES notation for tert-butyl N-[1-[6-(7-fluoro-6-methoxy-2-methylindazol-5-yl)-1,5-naphthyridin-2-yl]pyrrolidin-3-yl]carbamate?
The canonical SMILES for tert-butyl N-[1-[6-(7-fluoro-6-methoxy-2-methylindazol-5-yl)-1,5-naphthyridin-2-yl]pyrrolidin-3-yl]carbamate is COc1c(-c2ccc3nc(N4CCC(NC(=O)OC(C)(C)C)C4)ccc3n2)cc2cn(C)nc2c1F.
What is the InChIKey of tert-butyl N-[1-[6-(7-fluoro-6-methoxy-2-methylindazol-5-yl)-1,5-naphthyridin-2-yl]pyrrolidin-3-yl]carbamate?
The InChIKey is KXDSFOOCFRYBDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H29FN6O3/c1-26(2,3)36-25(34)28-16-10-11-33(14-16)21-9-8-19-20(30-21)7-6-18(29-19)17-12-15-13-32(4)31-23(15)22(27)24(17)35-5/h6-9,12-13,16H,10-11,14H2,1-5H3,(H,28,34).
What are the key properties of tert-butyl N-[1-[6-(7-fluoro-6-methoxy-2-methylindazol-5-yl)-1,5-naphthyridin-2-yl]pyrrolidin-3-yl]carbamate?
tert-butyl N-[1-[6-(7-fluoro-6-methoxy-2-methylindazol-5-yl)-1,5-naphthyridin-2-yl]pyrrolidin-3-yl]carbamate has a molecular weight of 492.56 g/mol, XLogP of 4.43, 4 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[1-[6-(7-fluoro-6-methoxy-2-methylindazol-5-yl)-1,5-naphthyridin-2-yl]pyrrolidin-3-yl]carbamate is sourced from PubChem (CID 162433546), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).