(3R)-4-[4-[1-(difluoromethyl)pyrazol-4-yl]-8-(1H-pyrazol-5-yl)-1,7-naphthyridin-2-yl]-3-methylmorpholine

C20H19F2N7O — CID 118869534

IUPAC(3R)-4-[4-[1-(difluoromethyl)pyrazol-4-yl]-8-(1H-pyrazol-5-yl)-1,7-naphthyridin-2-yl]-3-methylmorpholine
SMILESC[C@@H]1COCCN1c1cc(-c2cnn(C(F)F)c2)c2ccnc(-c3ccn[nH]3)c2n1
InChIInChI=1S/C20H19F2N7O/c1-12-11-30-7-6-28(12)17-8-15(13-9-25-29(10-13)20(21)22)14-2-4-23-19(18(14)26-17)16-3-5-24-27-16/h2-5,8-10,12,20H,6-7,11H2,1H3,(H,24,27)/t12-/m1/s1
InChIKeyTZWCUFIKVHLRMN-GFCCVEGCSA-N
MW411.42 g/mol
LogP3.50
Rot. Bonds4

About (3R)-4-[4-[1-(difluoromethyl)pyrazol-4-yl]-8-(1H-pyrazol-5-yl)-1,7-naphthyridin-2-yl]-3-methylmorpholine

(3R)-4-[4-[1-(difluoromethyl)pyrazol-4-yl]-8-(1H-pyrazol-5-yl)-1,7-naphthyridin-2-yl]-3-methylmorpholine (PubChem CID 118869534) has the molecular formula C20H19F2N7O and a molecular weight of 411.42 g/mol. Its IUPAC name is (3R)-4-[4-[1-(difluoromethyl)pyrazol-4-yl]-8-(1H-pyrazol-5-yl)-1,7-naphthyridin-2-yl]-3-methylmorpholine.

Molecular Properties

Compound Name(3R)-4-[4-[1-(difluoromethyl)pyrazol-4-yl]-8-(1H-pyrazol-5-yl)-1,7-naphthyridin-2-yl]-3-methylmorpholine
PubChem CID118869534
Molecular FormulaC20H19F2N7O
Molecular Weight411.42 g/mol
Exact Mass411.16
IUPAC Name(3R)-4-[4-[1-(difluoromethyl)pyrazol-4-yl]-8-(1H-pyrazol-5-yl)-1,7-naphthyridin-2-yl]-3-methylmorpholine
SMILESC[C@@H]1COCCN1c1cc(-c2cnn(C(F)F)c2)c2ccnc(-c3ccn[nH]3)c2n1
InChIInChI=1S/C20H19F2N7O/c1-12-11-30-7-6-28(12)17-8-15(13-9-25-29(10-13)20(21)22)14-2-4-23-19(18(14)26-17)16-3-5-24-27-16/h2-5,8-10,12,20H,6-7,11H2,1H3,(H,24,27)/t12-/m1/s1
InChIKeyTZWCUFIKVHLRMN-GFCCVEGCSA-N
XLogP3.50
TPSA84.75 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.42
LogP ≤ 53.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of (3R)-4-[4-[1-(difluoromethyl)pyrazol-4-yl]-8-(1H-pyrazol-5-yl)-1,7-naphthyridin-2-yl]-3-methylmorpholine?
The IUPAC name of (3R)-4-[4-[1-(difluoromethyl)pyrazol-4-yl]-8-(1H-pyrazol-5-yl)-1,7-naphthyridin-2-yl]-3-methylmorpholine (CID 118869534) is (3R)-4-[4-[1-(difluoromethyl)pyrazol-4-yl]-8-(1H-pyrazol-5-yl)-1,7-naphthyridin-2-yl]-3-methylmorpholine.
What is the SMILES notation for (3R)-4-[4-[1-(difluoromethyl)pyrazol-4-yl]-8-(1H-pyrazol-5-yl)-1,7-naphthyridin-2-yl]-3-methylmorpholine?
The canonical SMILES for (3R)-4-[4-[1-(difluoromethyl)pyrazol-4-yl]-8-(1H-pyrazol-5-yl)-1,7-naphthyridin-2-yl]-3-methylmorpholine is C[C@@H]1COCCN1c1cc(-c2cnn(C(F)F)c2)c2ccnc(-c3ccn[nH]3)c2n1.
What is the InChIKey of (3R)-4-[4-[1-(difluoromethyl)pyrazol-4-yl]-8-(1H-pyrazol-5-yl)-1,7-naphthyridin-2-yl]-3-methylmorpholine?
The InChIKey is TZWCUFIKVHLRMN-GFCCVEGCSA-N. The full InChI is InChI=1S/C20H19F2N7O/c1-12-11-30-7-6-28(12)17-8-15(13-9-25-29(10-13)20(21)22)14-2-4-23-19(18(14)26-17)16-3-5-24-27-16/h2-5,8-10,12,20H,6-7,11H2,1H3,(H,24,27)/t12-/m1/s1.
What are the key properties of (3R)-4-[4-[1-(difluoromethyl)pyrazol-4-yl]-8-(1H-pyrazol-5-yl)-1,7-naphthyridin-2-yl]-3-methylmorpholine?
(3R)-4-[4-[1-(difluoromethyl)pyrazol-4-yl]-8-(1H-pyrazol-5-yl)-1,7-naphthyridin-2-yl]-3-methylmorpholine has a molecular weight of 411.42 g/mol, XLogP of 3.50, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-4-[4-[1-(difluoromethyl)pyrazol-4-yl]-8-(1H-pyrazol-5-yl)-1,7-naphthyridin-2-yl]-3-methylmorpholine is sourced from PubChem (CID 118869534), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).