2-[1-[4-[7-[1-(2-hydroxyethyl)pyrazol-4-yl]-1,6-naphthyridin-5-yl]pyrazol-1-yl]-3-methoxycyclobutyl]acetonitrile

C23H23N7O2 — CID 142530293

IUPAC2-[1-[4-[7-[1-(2-hydroxyethyl)pyrazol-4-yl]-1,6-naphthyridin-5-yl]pyrazol-1-yl]-3-methoxycyclobutyl]acetonitrile
SMILESCOC1CC(CC#N)(n2cc(-c3nc(-c4cnn(CCO)c4)cc4ncccc34)cn2)C1
InChIInChI=1S/C23H23N7O2/c1-32-18-10-23(11-18,4-5-24)30-15-17(13-27-30)22-19-3-2-6-25-21(19)9-20(28-22)16-12-26-29(14-16)7-8-31/h2-3,6,9,12-15,18,31H,4,7-8,10-11H2,1H3
InChIKeyNQQZMWXDYQGWBM-UHFFFAOYSA-N
MW429.48 g/mol
LogP2.77
Rot. Bonds7

About 2-[1-[4-[7-[1-(2-hydroxyethyl)pyrazol-4-yl]-1,6-naphthyridin-5-yl]pyrazol-1-yl]-3-methoxycyclobutyl]acetonitrile

2-[1-[4-[7-[1-(2-hydroxyethyl)pyrazol-4-yl]-1,6-naphthyridin-5-yl]pyrazol-1-yl]-3-methoxycyclobutyl]acetonitrile (PubChem CID 142530293) has the molecular formula C23H23N7O2 and a molecular weight of 429.48 g/mol. Its IUPAC name is 2-[1-[4-[7-[1-(2-hydroxyethyl)pyrazol-4-yl]-1,6-naphthyridin-5-yl]pyrazol-1-yl]-3-methoxycyclobutyl]acetonitrile.

Molecular Properties

Compound Name2-[1-[4-[7-[1-(2-hydroxyethyl)pyrazol-4-yl]-1,6-naphthyridin-5-yl]pyrazol-1-yl]-3-methoxycyclobutyl]acetonitrile
PubChem CID142530293
Molecular FormulaC23H23N7O2
Molecular Weight429.48 g/mol
Exact Mass429.19
IUPAC Name2-[1-[4-[7-[1-(2-hydroxyethyl)pyrazol-4-yl]-1,6-naphthyridin-5-yl]pyrazol-1-yl]-3-methoxycyclobutyl]acetonitrile
SMILESCOC1CC(CC#N)(n2cc(-c3nc(-c4cnn(CCO)c4)cc4ncccc34)cn2)C1
InChIInChI=1S/C23H23N7O2/c1-32-18-10-23(11-18,4-5-24)30-15-17(13-27-30)22-19-3-2-6-25-21(19)9-20(28-22)16-12-26-29(14-16)7-8-31/h2-3,6,9,12-15,18,31H,4,7-8,10-11H2,1H3
InChIKeyNQQZMWXDYQGWBM-UHFFFAOYSA-N
XLogP2.77
TPSA114.67 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500429.48
LogP ≤ 52.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of 2-[1-[4-[7-[1-(2-hydroxyethyl)pyrazol-4-yl]-1,6-naphthyridin-5-yl]pyrazol-1-yl]-3-methoxycyclobutyl]acetonitrile?
The IUPAC name of 2-[1-[4-[7-[1-(2-hydroxyethyl)pyrazol-4-yl]-1,6-naphthyridin-5-yl]pyrazol-1-yl]-3-methoxycyclobutyl]acetonitrile (CID 142530293) is 2-[1-[4-[7-[1-(2-hydroxyethyl)pyrazol-4-yl]-1,6-naphthyridin-5-yl]pyrazol-1-yl]-3-methoxycyclobutyl]acetonitrile.
What is the SMILES notation for 2-[1-[4-[7-[1-(2-hydroxyethyl)pyrazol-4-yl]-1,6-naphthyridin-5-yl]pyrazol-1-yl]-3-methoxycyclobutyl]acetonitrile?
The canonical SMILES for 2-[1-[4-[7-[1-(2-hydroxyethyl)pyrazol-4-yl]-1,6-naphthyridin-5-yl]pyrazol-1-yl]-3-methoxycyclobutyl]acetonitrile is COC1CC(CC#N)(n2cc(-c3nc(-c4cnn(CCO)c4)cc4ncccc34)cn2)C1.
What is the InChIKey of 2-[1-[4-[7-[1-(2-hydroxyethyl)pyrazol-4-yl]-1,6-naphthyridin-5-yl]pyrazol-1-yl]-3-methoxycyclobutyl]acetonitrile?
The InChIKey is NQQZMWXDYQGWBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23N7O2/c1-32-18-10-23(11-18,4-5-24)30-15-17(13-27-30)22-19-3-2-6-25-21(19)9-20(28-22)16-12-26-29(14-16)7-8-31/h2-3,6,9,12-15,18,31H,4,7-8,10-11H2,1H3.
What are the key properties of 2-[1-[4-[7-[1-(2-hydroxyethyl)pyrazol-4-yl]-1,6-naphthyridin-5-yl]pyrazol-1-yl]-3-methoxycyclobutyl]acetonitrile?
2-[1-[4-[7-[1-(2-hydroxyethyl)pyrazol-4-yl]-1,6-naphthyridin-5-yl]pyrazol-1-yl]-3-methoxycyclobutyl]acetonitrile has a molecular weight of 429.48 g/mol, XLogP of 2.77, 7 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[4-[7-[1-(2-hydroxyethyl)pyrazol-4-yl]-1,6-naphthyridin-5-yl]pyrazol-1-yl]-3-methoxycyclobutyl]acetonitrile is sourced from PubChem (CID 142530293), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).