(3R)-N-[8-amino-6-[2-methyl-4-(4-phenyl-1,3-oxazol-2-yl)phenyl]-2,7-naphthyridin-3-yl]-3-(1-methylpyrazol-4-yl)butanamide

C32H29N7O2 — CID 148686814

IUPAC(3R)-N-[8-amino-6-[2-methyl-4-(4-phenyl-1,3-oxazol-2-yl)phenyl]-2,7-naphthyridin-3-yl]-3-(1-methylpyrazol-4-yl)butanamide
SMILESCc1cc(-c2nc(-c3ccccc3)co2)ccc1-c1cc2cc(NC(=O)C[C@@H](C)c3cnn(C)c3)ncc2c(N)n1
InChIInChI=1S/C32H29N7O2/c1-19(24-15-35-39(3)17-24)12-30(40)38-29-14-23-13-27(36-31(33)26(23)16-34-29)25-10-9-22(11-20(25)2)32-37-28(18-41-32)21-7-5-4-6-8-21/h4-11,13-19H,12H2,1-3H3,(H2,33,36)(H,34,38,40)/t19-/m1/s1
InChIKeyNSRCPEDPKBPZSP-LJQANCHMSA-N
MW543.63 g/mol
LogP6.38
Rot. Bonds7

About (3R)-N-[8-amino-6-[2-methyl-4-(4-phenyl-1,3-oxazol-2-yl)phenyl]-2,7-naphthyridin-3-yl]-3-(1-methylpyrazol-4-yl)butanamide

(3R)-N-[8-amino-6-[2-methyl-4-(4-phenyl-1,3-oxazol-2-yl)phenyl]-2,7-naphthyridin-3-yl]-3-(1-methylpyrazol-4-yl)butanamide (PubChem CID 148686814) has the molecular formula C32H29N7O2 and a molecular weight of 543.63 g/mol. Its IUPAC name is (3R)-N-[8-amino-6-[2-methyl-4-(4-phenyl-1,3-oxazol-2-yl)phenyl]-2,7-naphthyridin-3-yl]-3-(1-methylpyrazol-4-yl)butanamide.

Molecular Properties

Compound Name(3R)-N-[8-amino-6-[2-methyl-4-(4-phenyl-1,3-oxazol-2-yl)phenyl]-2,7-naphthyridin-3-yl]-3-(1-methylpyrazol-4-yl)butanamide
PubChem CID148686814
Molecular FormulaC32H29N7O2
Molecular Weight543.63 g/mol
Exact Mass543.24
IUPAC Name(3R)-N-[8-amino-6-[2-methyl-4-(4-phenyl-1,3-oxazol-2-yl)phenyl]-2,7-naphthyridin-3-yl]-3-(1-methylpyrazol-4-yl)butanamide
SMILESCc1cc(-c2nc(-c3ccccc3)co2)ccc1-c1cc2cc(NC(=O)C[C@@H](C)c3cnn(C)c3)ncc2c(N)n1
InChIInChI=1S/C32H29N7O2/c1-19(24-15-35-39(3)17-24)12-30(40)38-29-14-23-13-27(36-31(33)26(23)16-34-29)25-10-9-22(11-20(25)2)32-37-28(18-41-32)21-7-5-4-6-8-21/h4-11,13-19H,12H2,1-3H3,(H2,33,36)(H,34,38,40)/t19-/m1/s1
InChIKeyNSRCPEDPKBPZSP-LJQANCHMSA-N
XLogP6.38
TPSA124.75 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms41
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500543.63
LogP ≤ 56.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze (3R)-N-[8-amino-6-[2-methyl-4-(4-phenyl-1,3-oxazol-2-yl)phenyl]-2,7-naphthyridin-3-yl]-3-(1-methylpyrazol-4-yl)butanamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of (3R)-N-[8-amino-6-[2-methyl-4-(4-phenyl-1,3-oxazol-2-yl)phenyl]-2,7-naphthyridin-3-yl]-3-(1-methylpyrazol-4-yl)butanamide?
The IUPAC name of (3R)-N-[8-amino-6-[2-methyl-4-(4-phenyl-1,3-oxazol-2-yl)phenyl]-2,7-naphthyridin-3-yl]-3-(1-methylpyrazol-4-yl)butanamide (CID 148686814) is (3R)-N-[8-amino-6-[2-methyl-4-(4-phenyl-1,3-oxazol-2-yl)phenyl]-2,7-naphthyridin-3-yl]-3-(1-methylpyrazol-4-yl)butanamide.
What is the SMILES notation for (3R)-N-[8-amino-6-[2-methyl-4-(4-phenyl-1,3-oxazol-2-yl)phenyl]-2,7-naphthyridin-3-yl]-3-(1-methylpyrazol-4-yl)butanamide?
The canonical SMILES for (3R)-N-[8-amino-6-[2-methyl-4-(4-phenyl-1,3-oxazol-2-yl)phenyl]-2,7-naphthyridin-3-yl]-3-(1-methylpyrazol-4-yl)butanamide is Cc1cc(-c2nc(-c3ccccc3)co2)ccc1-c1cc2cc(NC(=O)C[C@@H](C)c3cnn(C)c3)ncc2c(N)n1.
What is the InChIKey of (3R)-N-[8-amino-6-[2-methyl-4-(4-phenyl-1,3-oxazol-2-yl)phenyl]-2,7-naphthyridin-3-yl]-3-(1-methylpyrazol-4-yl)butanamide?
The InChIKey is NSRCPEDPKBPZSP-LJQANCHMSA-N. The full InChI is InChI=1S/C32H29N7O2/c1-19(24-15-35-39(3)17-24)12-30(40)38-29-14-23-13-27(36-31(33)26(23)16-34-29)25-10-9-22(11-20(25)2)32-37-28(18-41-32)21-7-5-4-6-8-21/h4-11,13-19H,12H2,1-3H3,(H2,33,36)(H,34,38,40)/t19-/m1/s1.
What are the key properties of (3R)-N-[8-amino-6-[2-methyl-4-(4-phenyl-1,3-oxazol-2-yl)phenyl]-2,7-naphthyridin-3-yl]-3-(1-methylpyrazol-4-yl)butanamide?
(3R)-N-[8-amino-6-[2-methyl-4-(4-phenyl-1,3-oxazol-2-yl)phenyl]-2,7-naphthyridin-3-yl]-3-(1-methylpyrazol-4-yl)butanamide has a molecular weight of 543.63 g/mol, XLogP of 6.38, 7 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-N-[8-amino-6-[2-methyl-4-(4-phenyl-1,3-oxazol-2-yl)phenyl]-2,7-naphthyridin-3-yl]-3-(1-methylpyrazol-4-yl)butanamide is sourced from PubChem (CID 148686814), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).