2-[4-[(3R)-3-(5-amino-7-methoxy-[1,2,4]triazolo[1,5-c]quinazolin-2-yl)piperidin-1-yl]pyrazol-1-yl]-N-cyclobutyl-2-methylpropanamide

C26H33N9O2 — CID 167359215

IUPAC2-[4-[(3R)-3-(5-amino-7-methoxy-[1,2,4]triazolo[1,5-c]quinazolin-2-yl)piperidin-1-yl]pyrazol-1-yl]-N-cyclobutyl-2-methylpropanamide
SMILESCOc1cccc2c1nc(N)n1nc([C@@H]3CCCN(c4cnn(C(C)(C)C(=O)NC5CCC5)c4)C3)nc21
InChIInChI=1S/C26H33N9O2/c1-26(2,24(36)29-17-8-4-9-17)34-15-18(13-28-34)33-12-6-7-16(14-33)22-31-23-19-10-5-11-20(37-3)21(19)30-25(27)35(23)32-22/h5,10-11,13,15-17H,4,6-9,12,14H2,1-3H3,(H2,27,30)(H,29,36)/t16-/m1/s1
InChIKeyDCXVHMRELBCCQY-MRXNPFEDSA-N
MW503.61 g/mol
LogP2.85
Rot. Bonds6

About 2-[4-[(3R)-3-(5-amino-7-methoxy-[1,2,4]triazolo[1,5-c]quinazolin-2-yl)piperidin-1-yl]pyrazol-1-yl]-N-cyclobutyl-2-methylpropanamide

2-[4-[(3R)-3-(5-amino-7-methoxy-[1,2,4]triazolo[1,5-c]quinazolin-2-yl)piperidin-1-yl]pyrazol-1-yl]-N-cyclobutyl-2-methylpropanamide (PubChem CID 167359215) has the molecular formula C26H33N9O2 and a molecular weight of 503.61 g/mol. Its IUPAC name is 2-[4-[(3R)-3-(5-amino-7-methoxy-[1,2,4]triazolo[1,5-c]quinazolin-2-yl)piperidin-1-yl]pyrazol-1-yl]-N-cyclobutyl-2-methylpropanamide.

Molecular Properties

Compound Name2-[4-[(3R)-3-(5-amino-7-methoxy-[1,2,4]triazolo[1,5-c]quinazolin-2-yl)piperidin-1-yl]pyrazol-1-yl]-N-cyclobutyl-2-methylpropanamide
PubChem CID167359215
Molecular FormulaC26H33N9O2
Molecular Weight503.61 g/mol
Exact Mass503.28
IUPAC Name2-[4-[(3R)-3-(5-amino-7-methoxy-[1,2,4]triazolo[1,5-c]quinazolin-2-yl)piperidin-1-yl]pyrazol-1-yl]-N-cyclobutyl-2-methylpropanamide
SMILESCOc1cccc2c1nc(N)n1nc([C@@H]3CCCN(c4cnn(C(C)(C)C(=O)NC5CCC5)c4)C3)nc21
InChIInChI=1S/C26H33N9O2/c1-26(2,24(36)29-17-8-4-9-17)34-15-18(13-28-34)33-12-6-7-16(14-33)22-31-23-19-10-5-11-20(37-3)21(19)30-25(27)35(23)32-22/h5,10-11,13,15-17H,4,6-9,12,14H2,1-3H3,(H2,27,30)(H,29,36)/t16-/m1/s1
InChIKeyDCXVHMRELBCCQY-MRXNPFEDSA-N
XLogP2.85
TPSA128.49 Ų
H-Bond Donors2
H-Bond Acceptors10
Rotatable Bonds6
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500503.61
LogP ≤ 52.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1010

Analyze 2-[4-[(3R)-3-(5-amino-7-methoxy-[1,2,4]triazolo[1,5-c]quinazolin-2-yl)piperidin-1-yl]pyrazol-1-yl]-N-cyclobutyl-2-methylpropanamide with MolForge

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Related Compounds

2-[(3R)-1-(1-tert-butylpyrazol-4-yl)pyrrolidin-3-yl]-7-methoxy-[1,2,4]triazolo[1,5-c]quinazolin-5-amine
CID 167359079
7-methoxy-2-[(3R)-1-phenylpiperidin-3-yl]-[1,2,4]triazolo[1,5-c]quinazolin-5-amine
CID 155926715
3-[[4-[(3R)-3-(5-amino-7-methoxy-[1,2,4]triazolo[1,5-c]quinazolin-2-yl)piperidin-1-yl]pyrazol-1-yl]methyl]pentan-3-ol
CID 167359163
7-methoxy-2-[1-[1-(methylsulfonylmethyl)pyrazol-4-yl]piperidin-3-yl]-[1,2,4]triazolo[1,5-c]quinazolin-5-amine
CID 146597572
7-methoxy-2-[(3R)-1-[1-(2-methoxycyclopentyl)pyrazol-4-yl]piperidin-3-yl]-[1,2,4]triazolo[1,5-c]quinazolin-5-amine
CID 167359269
7-methoxy-2-[(3R)-1-[1-(methylsulfonylmethyl)pyrazol-4-yl]piperidin-3-yl]-[1,2,4]triazolo[1,5-c]quinazolin-5-amine
CID 146597571
7-methoxy-2-[(3R)-1-[1-[(3S)-1-methylpyrrolidin-3-yl]pyrazol-4-yl]piperidin-3-yl]-[1,2,4]triazolo[1,5-c]quinazolin-5-amine
CID 167359235
5-[(3R)-3-(5-amino-7-methoxy-[1,2,4]triazolo[1,5-c]quinazolin-2-yl)piperidin-1-yl]-1-cyclopropylpyridin-2-one
CID 167359059
7-methoxy-2-[(3R)-1-[1-[(3R)-pyrrolidin-3-yl]pyrazol-4-yl]piperidin-3-yl]-[1,2,4]triazolo[1,5-c]quinazolin-5-amine
CID 167359063
7-methoxy-2-[(3R)-1-(1-methylimidazol-2-yl)piperidin-3-yl]-[1,2,4]triazolo[1,5-c]quinazolin-5-amine
CID 167359117
2-cyclobutyl-7-methoxy-[1,2,4]triazolo[1,5-c]quinazolin-5-amine
CID 169150760
5-amino-2-[(3S)-1-(1-methylpyrazol-4-yl)piperidin-3-yl]-[1,2,4]triazolo[1,5-c]quinazolin-7-ol
CID 146597584

Frequently Asked Questions

What is the IUPAC name of 2-[4-[(3R)-3-(5-amino-7-methoxy-[1,2,4]triazolo[1,5-c]quinazolin-2-yl)piperidin-1-yl]pyrazol-1-yl]-N-cyclobutyl-2-methylpropanamide?
The IUPAC name of 2-[4-[(3R)-3-(5-amino-7-methoxy-[1,2,4]triazolo[1,5-c]quinazolin-2-yl)piperidin-1-yl]pyrazol-1-yl]-N-cyclobutyl-2-methylpropanamide (CID 167359215) is 2-[4-[(3R)-3-(5-amino-7-methoxy-[1,2,4]triazolo[1,5-c]quinazolin-2-yl)piperidin-1-yl]pyrazol-1-yl]-N-cyclobutyl-2-methylpropanamide.
What is the SMILES notation for 2-[4-[(3R)-3-(5-amino-7-methoxy-[1,2,4]triazolo[1,5-c]quinazolin-2-yl)piperidin-1-yl]pyrazol-1-yl]-N-cyclobutyl-2-methylpropanamide?
The canonical SMILES for 2-[4-[(3R)-3-(5-amino-7-methoxy-[1,2,4]triazolo[1,5-c]quinazolin-2-yl)piperidin-1-yl]pyrazol-1-yl]-N-cyclobutyl-2-methylpropanamide is COc1cccc2c1nc(N)n1nc([C@@H]3CCCN(c4cnn(C(C)(C)C(=O)NC5CCC5)c4)C3)nc21.
What is the InChIKey of 2-[4-[(3R)-3-(5-amino-7-methoxy-[1,2,4]triazolo[1,5-c]quinazolin-2-yl)piperidin-1-yl]pyrazol-1-yl]-N-cyclobutyl-2-methylpropanamide?
The InChIKey is DCXVHMRELBCCQY-MRXNPFEDSA-N. The full InChI is InChI=1S/C26H33N9O2/c1-26(2,24(36)29-17-8-4-9-17)34-15-18(13-28-34)33-12-6-7-16(14-33)22-31-23-19-10-5-11-20(37-3)21(19)30-25(27)35(23)32-22/h5,10-11,13,15-17H,4,6-9,12,14H2,1-3H3,(H2,27,30)(H,29,36)/t16-/m1/s1.
What are the key properties of 2-[4-[(3R)-3-(5-amino-7-methoxy-[1,2,4]triazolo[1,5-c]quinazolin-2-yl)piperidin-1-yl]pyrazol-1-yl]-N-cyclobutyl-2-methylpropanamide?
2-[4-[(3R)-3-(5-amino-7-methoxy-[1,2,4]triazolo[1,5-c]quinazolin-2-yl)piperidin-1-yl]pyrazol-1-yl]-N-cyclobutyl-2-methylpropanamide has a molecular weight of 503.61 g/mol, XLogP of 2.85, 6 rotatable bonds, 2 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[(3R)-3-(5-amino-7-methoxy-[1,2,4]triazolo[1,5-c]quinazolin-2-yl)piperidin-1-yl]pyrazol-1-yl]-N-cyclobutyl-2-methylpropanamide is sourced from PubChem (CID 167359215), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).