N-(3,5-dimethoxycyclohexa-1,3-dien-1-yl)-N-(1H-imidazol-5-ylmethyl)-7-(1-methylpyrazol-4-yl)-1,5-naphthyridin-2-amine

C24H25N7O2 — CID 138463539

IUPACN-(3,5-dimethoxycyclohexa-1,3-dien-1-yl)-N-(1H-imidazol-5-ylmethyl)-7-(1-methylpyrazol-4-yl)-1,5-naphthyridin-2-amine
SMILESCOC1=CC(OC)CC(N(Cc2cnc[nH]2)c2ccc3ncc(-c4cnn(C)c4)cc3n2)=C1
InChIInChI=1S/C24H25N7O2/c1-30-13-17(11-28-30)16-6-23-22(26-10-16)4-5-24(29-23)31(14-18-12-25-15-27-18)19-7-20(32-2)9-21(8-19)33-3/h4-7,9-13,15,21H,8,14H2,1-3H3,(H,25,27)
InChIKeyRQZAUXPMPMWDIQ-UHFFFAOYSA-N
MW443.51 g/mol
LogP3.59
Rot. Bonds7

About N-(3,5-dimethoxycyclohexa-1,3-dien-1-yl)-N-(1H-imidazol-5-ylmethyl)-7-(1-methylpyrazol-4-yl)-1,5-naphthyridin-2-amine

N-(3,5-dimethoxycyclohexa-1,3-dien-1-yl)-N-(1H-imidazol-5-ylmethyl)-7-(1-methylpyrazol-4-yl)-1,5-naphthyridin-2-amine (PubChem CID 138463539) has the molecular formula C24H25N7O2 and a molecular weight of 443.51 g/mol. Its IUPAC name is N-(3,5-dimethoxycyclohexa-1,3-dien-1-yl)-N-(1H-imidazol-5-ylmethyl)-7-(1-methylpyrazol-4-yl)-1,5-naphthyridin-2-amine.

Molecular Properties

Compound NameN-(3,5-dimethoxycyclohexa-1,3-dien-1-yl)-N-(1H-imidazol-5-ylmethyl)-7-(1-methylpyrazol-4-yl)-1,5-naphthyridin-2-amine
PubChem CID138463539
Molecular FormulaC24H25N7O2
Molecular Weight443.51 g/mol
Exact Mass443.21
IUPAC NameN-(3,5-dimethoxycyclohexa-1,3-dien-1-yl)-N-(1H-imidazol-5-ylmethyl)-7-(1-methylpyrazol-4-yl)-1,5-naphthyridin-2-amine
SMILESCOC1=CC(OC)CC(N(Cc2cnc[nH]2)c2ccc3ncc(-c4cnn(C)c4)cc3n2)=C1
InChIInChI=1S/C24H25N7O2/c1-30-13-17(11-28-30)16-6-23-22(26-10-16)4-5-24(29-23)31(14-18-12-25-15-27-18)19-7-20(32-2)9-21(8-19)33-3/h4-7,9-13,15,21H,8,14H2,1-3H3,(H,25,27)
InChIKeyRQZAUXPMPMWDIQ-UHFFFAOYSA-N
XLogP3.59
TPSA93.98 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500443.51
LogP ≤ 53.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze N-(3,5-dimethoxycyclohexa-1,3-dien-1-yl)-N-(1H-imidazol-5-ylmethyl)-7-(1-methylpyrazol-4-yl)-1,5-naphthyridin-2-amine with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-(3,5-dimethoxycyclohexa-1,3-dien-1-yl)-N-(1H-imidazol-5-ylmethyl)-7-(1-methylpyrazol-4-yl)-1,5-naphthyridin-2-amine?
The IUPAC name of N-(3,5-dimethoxycyclohexa-1,3-dien-1-yl)-N-(1H-imidazol-5-ylmethyl)-7-(1-methylpyrazol-4-yl)-1,5-naphthyridin-2-amine (CID 138463539) is N-(3,5-dimethoxycyclohexa-1,3-dien-1-yl)-N-(1H-imidazol-5-ylmethyl)-7-(1-methylpyrazol-4-yl)-1,5-naphthyridin-2-amine.
What is the SMILES notation for N-(3,5-dimethoxycyclohexa-1,3-dien-1-yl)-N-(1H-imidazol-5-ylmethyl)-7-(1-methylpyrazol-4-yl)-1,5-naphthyridin-2-amine?
The canonical SMILES for N-(3,5-dimethoxycyclohexa-1,3-dien-1-yl)-N-(1H-imidazol-5-ylmethyl)-7-(1-methylpyrazol-4-yl)-1,5-naphthyridin-2-amine is COC1=CC(OC)CC(N(Cc2cnc[nH]2)c2ccc3ncc(-c4cnn(C)c4)cc3n2)=C1.
What is the InChIKey of N-(3,5-dimethoxycyclohexa-1,3-dien-1-yl)-N-(1H-imidazol-5-ylmethyl)-7-(1-methylpyrazol-4-yl)-1,5-naphthyridin-2-amine?
The InChIKey is RQZAUXPMPMWDIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25N7O2/c1-30-13-17(11-28-30)16-6-23-22(26-10-16)4-5-24(29-23)31(14-18-12-25-15-27-18)19-7-20(32-2)9-21(8-19)33-3/h4-7,9-13,15,21H,8,14H2,1-3H3,(H,25,27).
What are the key properties of N-(3,5-dimethoxycyclohexa-1,3-dien-1-yl)-N-(1H-imidazol-5-ylmethyl)-7-(1-methylpyrazol-4-yl)-1,5-naphthyridin-2-amine?
N-(3,5-dimethoxycyclohexa-1,3-dien-1-yl)-N-(1H-imidazol-5-ylmethyl)-7-(1-methylpyrazol-4-yl)-1,5-naphthyridin-2-amine has a molecular weight of 443.51 g/mol, XLogP of 3.59, 7 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,5-dimethoxycyclohexa-1,3-dien-1-yl)-N-(1H-imidazol-5-ylmethyl)-7-(1-methylpyrazol-4-yl)-1,5-naphthyridin-2-amine is sourced from PubChem (CID 138463539), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).