3-(1-methylpyrazol-4-yl)-2-[[(1S,2S)-2-(1,5-naphthyridin-2-yl)cyclopropyl]methoxy]-1,7-naphthyridine

C24H20N6O — CID 71488833

IUPAC3-(1-methylpyrazol-4-yl)-2-[[(1S,2S)-2-(1,5-naphthyridin-2-yl)cyclopropyl]methoxy]-1,7-naphthyridine
SMILESCn1cc(-c2cc3ccncc3nc2OC[C@H]2C[C@@H]2c2ccc3ncccc3n2)cn1
InChIInChI=1S/C24H20N6O/c1-30-13-17(11-27-30)19-9-15-6-8-25-12-23(15)29-24(19)31-14-16-10-18(16)20-4-5-21-22(28-20)3-2-7-26-21/h2-9,11-13,16,18H,10,14H2,1H3/t16-,18+/m1/s1
InChIKeyGUHJHNGFKCUGHF-AEFFLSMTSA-N
MW408.47 g/mol
LogP4.16
Rot. Bonds5

About 3-(1-methylpyrazol-4-yl)-2-[[(1S,2S)-2-(1,5-naphthyridin-2-yl)cyclopropyl]methoxy]-1,7-naphthyridine

3-(1-methylpyrazol-4-yl)-2-[[(1S,2S)-2-(1,5-naphthyridin-2-yl)cyclopropyl]methoxy]-1,7-naphthyridine (PubChem CID 71488833) has the molecular formula C24H20N6O and a molecular weight of 408.47 g/mol. Its IUPAC name is 3-(1-methylpyrazol-4-yl)-2-[[(1S,2S)-2-(1,5-naphthyridin-2-yl)cyclopropyl]methoxy]-1,7-naphthyridine.

Molecular Properties

Compound Name3-(1-methylpyrazol-4-yl)-2-[[(1S,2S)-2-(1,5-naphthyridin-2-yl)cyclopropyl]methoxy]-1,7-naphthyridine
PubChem CID71488833
Molecular FormulaC24H20N6O
Molecular Weight408.47 g/mol
Exact Mass408.17
IUPAC Name3-(1-methylpyrazol-4-yl)-2-[[(1S,2S)-2-(1,5-naphthyridin-2-yl)cyclopropyl]methoxy]-1,7-naphthyridine
SMILESCn1cc(-c2cc3ccncc3nc2OC[C@H]2C[C@@H]2c2ccc3ncccc3n2)cn1
InChIInChI=1S/C24H20N6O/c1-30-13-17(11-27-30)19-9-15-6-8-25-12-23(15)29-24(19)31-14-16-10-18(16)20-4-5-21-22(28-20)3-2-7-26-21/h2-9,11-13,16,18H,10,14H2,1H3/t16-,18+/m1/s1
InChIKeyGUHJHNGFKCUGHF-AEFFLSMTSA-N
XLogP4.16
TPSA78.61 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.47
LogP ≤ 54.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 3-(1-methylpyrazol-4-yl)-2-[[(1S,2S)-2-(1,5-naphthyridin-2-yl)cyclopropyl]methoxy]-1,7-naphthyridine?
The IUPAC name of 3-(1-methylpyrazol-4-yl)-2-[[(1S,2S)-2-(1,5-naphthyridin-2-yl)cyclopropyl]methoxy]-1,7-naphthyridine (CID 71488833) is 3-(1-methylpyrazol-4-yl)-2-[[(1S,2S)-2-(1,5-naphthyridin-2-yl)cyclopropyl]methoxy]-1,7-naphthyridine.
What is the SMILES notation for 3-(1-methylpyrazol-4-yl)-2-[[(1S,2S)-2-(1,5-naphthyridin-2-yl)cyclopropyl]methoxy]-1,7-naphthyridine?
The canonical SMILES for 3-(1-methylpyrazol-4-yl)-2-[[(1S,2S)-2-(1,5-naphthyridin-2-yl)cyclopropyl]methoxy]-1,7-naphthyridine is Cn1cc(-c2cc3ccncc3nc2OC[C@H]2C[C@@H]2c2ccc3ncccc3n2)cn1.
What is the InChIKey of 3-(1-methylpyrazol-4-yl)-2-[[(1S,2S)-2-(1,5-naphthyridin-2-yl)cyclopropyl]methoxy]-1,7-naphthyridine?
The InChIKey is GUHJHNGFKCUGHF-AEFFLSMTSA-N. The full InChI is InChI=1S/C24H20N6O/c1-30-13-17(11-27-30)19-9-15-6-8-25-12-23(15)29-24(19)31-14-16-10-18(16)20-4-5-21-22(28-20)3-2-7-26-21/h2-9,11-13,16,18H,10,14H2,1H3/t16-,18+/m1/s1.
What are the key properties of 3-(1-methylpyrazol-4-yl)-2-[[(1S,2S)-2-(1,5-naphthyridin-2-yl)cyclopropyl]methoxy]-1,7-naphthyridine?
3-(1-methylpyrazol-4-yl)-2-[[(1S,2S)-2-(1,5-naphthyridin-2-yl)cyclopropyl]methoxy]-1,7-naphthyridine has a molecular weight of 408.47 g/mol, XLogP of 4.16, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-methylpyrazol-4-yl)-2-[[(1S,2S)-2-(1,5-naphthyridin-2-yl)cyclopropyl]methoxy]-1,7-naphthyridine is sourced from PubChem (CID 71488833), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).