3-[1-amino-6-[[(1R,2R)-2-(1-methylpyrazol-4-yl)cyclopropanecarbonyl]amino]-2,7-naphthyridin-3-yl]-N,N,4-trimethylbenzamide

C26H27N7O2 — CID 135344797

IUPAC3-[1-amino-6-[[(1R,2R)-2-(1-methylpyrazol-4-yl)cyclopropanecarbonyl]amino]-2,7-naphthyridin-3-yl]-N,N,4-trimethylbenzamide
SMILESCc1ccc(C(=O)N(C)C)cc1-c1cc2cc(NC(=O)[C@@H]3C[C@H]3c3cnn(C)c3)ncc2c(N)n1
InChIInChI=1S/C26H27N7O2/c1-14-5-6-15(26(35)32(2)3)7-18(14)22-8-16-9-23(28-12-21(16)24(27)30-22)31-25(34)20-10-19(20)17-11-29-33(4)13-17/h5-9,11-13,19-20H,10H2,1-4H3,(H2,27,30)(H,28,31,34)/t19-,20+/m0/s1
InChIKeyYLKSSXZZMDIBLX-VQTJNVASSA-N
MW469.55 g/mol
LogP3.36
Rot. Bonds5

About 3-[1-amino-6-[[(1R,2R)-2-(1-methylpyrazol-4-yl)cyclopropanecarbonyl]amino]-2,7-naphthyridin-3-yl]-N,N,4-trimethylbenzamide

3-[1-amino-6-[[(1R,2R)-2-(1-methylpyrazol-4-yl)cyclopropanecarbonyl]amino]-2,7-naphthyridin-3-yl]-N,N,4-trimethylbenzamide (PubChem CID 135344797) has the molecular formula C26H27N7O2 and a molecular weight of 469.55 g/mol. Its IUPAC name is 3-[1-amino-6-[[(1R,2R)-2-(1-methylpyrazol-4-yl)cyclopropanecarbonyl]amino]-2,7-naphthyridin-3-yl]-N,N,4-trimethylbenzamide.

Molecular Properties

Compound Name3-[1-amino-6-[[(1R,2R)-2-(1-methylpyrazol-4-yl)cyclopropanecarbonyl]amino]-2,7-naphthyridin-3-yl]-N,N,4-trimethylbenzamide
PubChem CID135344797
Molecular FormulaC26H27N7O2
Molecular Weight469.55 g/mol
Exact Mass469.22
IUPAC Name3-[1-amino-6-[[(1R,2R)-2-(1-methylpyrazol-4-yl)cyclopropanecarbonyl]amino]-2,7-naphthyridin-3-yl]-N,N,4-trimethylbenzamide
SMILESCc1ccc(C(=O)N(C)C)cc1-c1cc2cc(NC(=O)[C@@H]3C[C@H]3c3cnn(C)c3)ncc2c(N)n1
InChIInChI=1S/C26H27N7O2/c1-14-5-6-15(26(35)32(2)3)7-18(14)22-8-16-9-23(28-12-21(16)24(27)30-22)31-25(34)20-10-19(20)17-11-29-33(4)13-17/h5-9,11-13,19-20H,10H2,1-4H3,(H2,27,30)(H,28,31,34)/t19-,20+/m0/s1
InChIKeyYLKSSXZZMDIBLX-VQTJNVASSA-N
XLogP3.36
TPSA119.03 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500469.55
LogP ≤ 53.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 3-[1-amino-6-[[(1R,2R)-2-(1-methylpyrazol-4-yl)cyclopropanecarbonyl]amino]-2,7-naphthyridin-3-yl]-N,N,4-trimethylbenzamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of 3-[1-amino-6-[[(1R,2R)-2-(1-methylpyrazol-4-yl)cyclopropanecarbonyl]amino]-2,7-naphthyridin-3-yl]-N,N,4-trimethylbenzamide?
The IUPAC name of 3-[1-amino-6-[[(1R,2R)-2-(1-methylpyrazol-4-yl)cyclopropanecarbonyl]amino]-2,7-naphthyridin-3-yl]-N,N,4-trimethylbenzamide (CID 135344797) is 3-[1-amino-6-[[(1R,2R)-2-(1-methylpyrazol-4-yl)cyclopropanecarbonyl]amino]-2,7-naphthyridin-3-yl]-N,N,4-trimethylbenzamide.
What is the SMILES notation for 3-[1-amino-6-[[(1R,2R)-2-(1-methylpyrazol-4-yl)cyclopropanecarbonyl]amino]-2,7-naphthyridin-3-yl]-N,N,4-trimethylbenzamide?
The canonical SMILES for 3-[1-amino-6-[[(1R,2R)-2-(1-methylpyrazol-4-yl)cyclopropanecarbonyl]amino]-2,7-naphthyridin-3-yl]-N,N,4-trimethylbenzamide is Cc1ccc(C(=O)N(C)C)cc1-c1cc2cc(NC(=O)[C@@H]3C[C@H]3c3cnn(C)c3)ncc2c(N)n1.
What is the InChIKey of 3-[1-amino-6-[[(1R,2R)-2-(1-methylpyrazol-4-yl)cyclopropanecarbonyl]amino]-2,7-naphthyridin-3-yl]-N,N,4-trimethylbenzamide?
The InChIKey is YLKSSXZZMDIBLX-VQTJNVASSA-N. The full InChI is InChI=1S/C26H27N7O2/c1-14-5-6-15(26(35)32(2)3)7-18(14)22-8-16-9-23(28-12-21(16)24(27)30-22)31-25(34)20-10-19(20)17-11-29-33(4)13-17/h5-9,11-13,19-20H,10H2,1-4H3,(H2,27,30)(H,28,31,34)/t19-,20+/m0/s1.
What are the key properties of 3-[1-amino-6-[[(1R,2R)-2-(1-methylpyrazol-4-yl)cyclopropanecarbonyl]amino]-2,7-naphthyridin-3-yl]-N,N,4-trimethylbenzamide?
3-[1-amino-6-[[(1R,2R)-2-(1-methylpyrazol-4-yl)cyclopropanecarbonyl]amino]-2,7-naphthyridin-3-yl]-N,N,4-trimethylbenzamide has a molecular weight of 469.55 g/mol, XLogP of 3.36, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-amino-6-[[(1R,2R)-2-(1-methylpyrazol-4-yl)cyclopropanecarbonyl]amino]-2,7-naphthyridin-3-yl]-N,N,4-trimethylbenzamide is sourced from PubChem (CID 135344797), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).