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

C26H27N7O2 — CID 135345051

IUPAC3-[1-amino-6-[[(1S,2S)-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+/m1/s1
InChIKeyYLKSSXZZMDIBLX-UXHICEINSA-N
MW469.55 g/mol
LogP3.36
Rot. Bonds5

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

3-[1-amino-6-[[(1S,2S)-2-(1-methylpyrazol-4-yl)cyclopropanecarbonyl]amino]-2,7-naphthyridin-3-yl]-N,N,4-trimethylbenzamide (PubChem CID 135345051) has the molecular formula C26H27N7O2 and a molecular weight of 469.55 g/mol. Its IUPAC name is 3-[1-amino-6-[[(1S,2S)-2-(1-methylpyrazol-4-yl)cyclopropanecarbonyl]amino]-2,7-naphthyridin-3-yl]-N,N,4-trimethylbenzamide.

Molecular Properties

Compound Name3-[1-amino-6-[[(1S,2S)-2-(1-methylpyrazol-4-yl)cyclopropanecarbonyl]amino]-2,7-naphthyridin-3-yl]-N,N,4-trimethylbenzamide
PubChem CID135345051
Molecular FormulaC26H27N7O2
Molecular Weight469.55 g/mol
Exact Mass469.22
IUPAC Name3-[1-amino-6-[[(1S,2S)-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+/m1/s1
InChIKeyYLKSSXZZMDIBLX-UXHICEINSA-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-[[(1S,2S)-2-(1-methylpyrazol-4-yl)cyclopropanecarbonyl]amino]-2,7-naphthyridin-3-yl]-N,N,4-trimethylbenzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

CID 132056570
CID 132056570
CID 71268957
CID 71268957
CID 72551585
CID 72551585
CID 153572417
CID 153572417
CID 16069302
CID 16069302
CID 54596764
CID 54596764
CID 138585697
CID 138585697
CID 147934765
CID 147934765
CID 153238800
CID 153238800
CID 153572297
CID 153572297
CID 153572325
CID 153572325
CID 153572508
CID 153572508

Frequently Asked Questions

What is the IUPAC name of 3-[1-amino-6-[[(1S,2S)-2-(1-methylpyrazol-4-yl)cyclopropanecarbonyl]amino]-2,7-naphthyridin-3-yl]-N,N,4-trimethylbenzamide?
The IUPAC name of 3-[1-amino-6-[[(1S,2S)-2-(1-methylpyrazol-4-yl)cyclopropanecarbonyl]amino]-2,7-naphthyridin-3-yl]-N,N,4-trimethylbenzamide (CID 135345051) is 3-[1-amino-6-[[(1S,2S)-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-[[(1S,2S)-2-(1-methylpyrazol-4-yl)cyclopropanecarbonyl]amino]-2,7-naphthyridin-3-yl]-N,N,4-trimethylbenzamide?
The canonical SMILES for 3-[1-amino-6-[[(1S,2S)-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-[[(1S,2S)-2-(1-methylpyrazol-4-yl)cyclopropanecarbonyl]amino]-2,7-naphthyridin-3-yl]-N,N,4-trimethylbenzamide?
The InChIKey is YLKSSXZZMDIBLX-UXHICEINSA-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+/m1/s1.
What are the key properties of 3-[1-amino-6-[[(1S,2S)-2-(1-methylpyrazol-4-yl)cyclopropanecarbonyl]amino]-2,7-naphthyridin-3-yl]-N,N,4-trimethylbenzamide?
3-[1-amino-6-[[(1S,2S)-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-[[(1S,2S)-2-(1-methylpyrazol-4-yl)cyclopropanecarbonyl]amino]-2,7-naphthyridin-3-yl]-N,N,4-trimethylbenzamide is sourced from PubChem (CID 135345051), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).