[5-[[(1R,5S)-8-(3-fluoropropyl)-8-azabicyclo[3.2.1]octan-3-yl]amino]-7-[(5-methyl-1H-pyrazol-3-yl)amino]-1,6-naphthyridin-2-yl]methanol

C23H30FN7O — CID 156601022

IUPAC[5-[[(1R,5S)-8-(3-fluoropropyl)-8-azabicyclo[3.2.1]octan-3-yl]amino]-7-[(5-methyl-1H-pyrazol-3-yl)amino]-1,6-naphthyridin-2-yl]methanol
SMILESCc1cc(Nc2cc3nc(CO)ccc3c(NC3C[C@H]4CC[C@@H](C3)N4CCCF)n2)n[nH]1
InChIInChI=1S/C23H30FN7O/c1-14-9-22(30-29-14)27-21-12-20-19(6-3-15(13-32)25-20)23(28-21)26-16-10-17-4-5-18(11-16)31(17)8-2-7-24/h3,6,9,12,16-18,32H,2,4-5,7-8,10-11,13H2,1H3,(H3,26,27,28,29,30)/t16?,17-,18+
InChIKeyQELNHVSIAQGDJD-AYHJJNSGSA-N
MW439.54 g/mol
LogP3.66
Rot. Bonds8

About [5-[[(1R,5S)-8-(3-fluoropropyl)-8-azabicyclo[3.2.1]octan-3-yl]amino]-7-[(5-methyl-1H-pyrazol-3-yl)amino]-1,6-naphthyridin-2-yl]methanol

[5-[[(1R,5S)-8-(3-fluoropropyl)-8-azabicyclo[3.2.1]octan-3-yl]amino]-7-[(5-methyl-1H-pyrazol-3-yl)amino]-1,6-naphthyridin-2-yl]methanol (PubChem CID 156601022) has the molecular formula C23H30FN7O and a molecular weight of 439.54 g/mol. Its IUPAC name is [5-[[(1R,5S)-8-(3-fluoropropyl)-8-azabicyclo[3.2.1]octan-3-yl]amino]-7-[(5-methyl-1H-pyrazol-3-yl)amino]-1,6-naphthyridin-2-yl]methanol.

Molecular Properties

Compound Name[5-[[(1R,5S)-8-(3-fluoropropyl)-8-azabicyclo[3.2.1]octan-3-yl]amino]-7-[(5-methyl-1H-pyrazol-3-yl)amino]-1,6-naphthyridin-2-yl]methanol
PubChem CID156601022
Molecular FormulaC23H30FN7O
Molecular Weight439.54 g/mol
Exact Mass439.25
IUPAC Name[5-[[(1R,5S)-8-(3-fluoropropyl)-8-azabicyclo[3.2.1]octan-3-yl]amino]-7-[(5-methyl-1H-pyrazol-3-yl)amino]-1,6-naphthyridin-2-yl]methanol
SMILESCc1cc(Nc2cc3nc(CO)ccc3c(NC3C[C@H]4CC[C@@H](C3)N4CCCF)n2)n[nH]1
InChIInChI=1S/C23H30FN7O/c1-14-9-22(30-29-14)27-21-12-20-19(6-3-15(13-32)25-20)23(28-21)26-16-10-17-4-5-18(11-16)31(17)8-2-7-24/h3,6,9,12,16-18,32H,2,4-5,7-8,10-11,13H2,1H3,(H3,26,27,28,29,30)/t16?,17-,18+
InChIKeyQELNHVSIAQGDJD-AYHJJNSGSA-N
XLogP3.66
TPSA101.99 Ų
H-Bond Donors4
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500439.54
LogP ≤ 53.66
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 107

Analyze [5-[[(1R,5S)-8-(3-fluoropropyl)-8-azabicyclo[3.2.1]octan-3-yl]amino]-7-[(5-methyl-1H-pyrazol-3-yl)amino]-1,6-naphthyridin-2-yl]methanol with MolForge

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Frequently Asked Questions

What is the IUPAC name of [5-[[(1R,5S)-8-(3-fluoropropyl)-8-azabicyclo[3.2.1]octan-3-yl]amino]-7-[(5-methyl-1H-pyrazol-3-yl)amino]-1,6-naphthyridin-2-yl]methanol?
The IUPAC name of [5-[[(1R,5S)-8-(3-fluoropropyl)-8-azabicyclo[3.2.1]octan-3-yl]amino]-7-[(5-methyl-1H-pyrazol-3-yl)amino]-1,6-naphthyridin-2-yl]methanol (CID 156601022) is [5-[[(1R,5S)-8-(3-fluoropropyl)-8-azabicyclo[3.2.1]octan-3-yl]amino]-7-[(5-methyl-1H-pyrazol-3-yl)amino]-1,6-naphthyridin-2-yl]methanol.
What is the SMILES notation for [5-[[(1R,5S)-8-(3-fluoropropyl)-8-azabicyclo[3.2.1]octan-3-yl]amino]-7-[(5-methyl-1H-pyrazol-3-yl)amino]-1,6-naphthyridin-2-yl]methanol?
The canonical SMILES for [5-[[(1R,5S)-8-(3-fluoropropyl)-8-azabicyclo[3.2.1]octan-3-yl]amino]-7-[(5-methyl-1H-pyrazol-3-yl)amino]-1,6-naphthyridin-2-yl]methanol is Cc1cc(Nc2cc3nc(CO)ccc3c(NC3C[C@H]4CC[C@@H](C3)N4CCCF)n2)n[nH]1.
What is the InChIKey of [5-[[(1R,5S)-8-(3-fluoropropyl)-8-azabicyclo[3.2.1]octan-3-yl]amino]-7-[(5-methyl-1H-pyrazol-3-yl)amino]-1,6-naphthyridin-2-yl]methanol?
The InChIKey is QELNHVSIAQGDJD-AYHJJNSGSA-N. The full InChI is InChI=1S/C23H30FN7O/c1-14-9-22(30-29-14)27-21-12-20-19(6-3-15(13-32)25-20)23(28-21)26-16-10-17-4-5-18(11-16)31(17)8-2-7-24/h3,6,9,12,16-18,32H,2,4-5,7-8,10-11,13H2,1H3,(H3,26,27,28,29,30)/t16?,17-,18+.
What are the key properties of [5-[[(1R,5S)-8-(3-fluoropropyl)-8-azabicyclo[3.2.1]octan-3-yl]amino]-7-[(5-methyl-1H-pyrazol-3-yl)amino]-1,6-naphthyridin-2-yl]methanol?
[5-[[(1R,5S)-8-(3-fluoropropyl)-8-azabicyclo[3.2.1]octan-3-yl]amino]-7-[(5-methyl-1H-pyrazol-3-yl)amino]-1,6-naphthyridin-2-yl]methanol has a molecular weight of 439.54 g/mol, XLogP of 3.66, 8 rotatable bonds, 4 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [5-[[(1R,5S)-8-(3-fluoropropyl)-8-azabicyclo[3.2.1]octan-3-yl]amino]-7-[(5-methyl-1H-pyrazol-3-yl)amino]-1,6-naphthyridin-2-yl]methanol is sourced from PubChem (CID 156601022), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).