N-benzyl-2-(6-methoxy-2-methylindol-1-yl)-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-amine

C24H25N5O — CID 127039990

IUPACN-benzyl-2-(6-methoxy-2-methylindol-1-yl)-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-amine
SMILESCOc1ccc2cc(C)n(-c3nc4c(c(NCc5ccccc5)n3)CNCC4)c2c1
InChIInChI=1S/C24H25N5O/c1-16-12-18-8-9-19(30-2)13-22(18)29(16)24-27-21-10-11-25-15-20(21)23(28-24)26-14-17-6-4-3-5-7-17/h3-9,12-13,25H,10-11,14-15H2,1-2H3,(H,26,27,28)
InChIKeyWNJKFZQLUKVVQJ-UHFFFAOYSA-N
MW399.50 g/mol
LogP4.00
Rot. Bonds5

About N-benzyl-2-(6-methoxy-2-methylindol-1-yl)-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-amine

N-benzyl-2-(6-methoxy-2-methylindol-1-yl)-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-amine (PubChem CID 127039990) has the molecular formula C24H25N5O and a molecular weight of 399.50 g/mol. Its IUPAC name is N-benzyl-2-(6-methoxy-2-methylindol-1-yl)-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-amine.

Molecular Properties

Compound NameN-benzyl-2-(6-methoxy-2-methylindol-1-yl)-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-amine
PubChem CID127039990
Molecular FormulaC24H25N5O
Molecular Weight399.50 g/mol
Exact Mass399.21
IUPAC NameN-benzyl-2-(6-methoxy-2-methylindol-1-yl)-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-amine
SMILESCOc1ccc2cc(C)n(-c3nc4c(c(NCc5ccccc5)n3)CNCC4)c2c1
InChIInChI=1S/C24H25N5O/c1-16-12-18-8-9-19(30-2)13-22(18)29(16)24-27-21-10-11-25-15-20(21)23(28-24)26-14-17-6-4-3-5-7-17/h3-9,12-13,25H,10-11,14-15H2,1-2H3,(H,26,27,28)
InChIKeyWNJKFZQLUKVVQJ-UHFFFAOYSA-N
XLogP4.00
TPSA64.00 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.50
LogP ≤ 54.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

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Abanoquil
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CP-31398
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CID 46224516
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CID 137348638
1-Piperazinecarbothioamide, 4-(4-amino-6,7-dimethoxy-2-quinazolinyl)-N-phenyl-
CID 3061449
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CID 213752
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CID 5330318
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CID 877998

Frequently Asked Questions

What is the IUPAC name of N-benzyl-2-(6-methoxy-2-methylindol-1-yl)-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-amine?
The IUPAC name of N-benzyl-2-(6-methoxy-2-methylindol-1-yl)-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-amine (CID 127039990) is N-benzyl-2-(6-methoxy-2-methylindol-1-yl)-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-amine.
What is the SMILES notation for N-benzyl-2-(6-methoxy-2-methylindol-1-yl)-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-amine?
The canonical SMILES for N-benzyl-2-(6-methoxy-2-methylindol-1-yl)-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-amine is COc1ccc2cc(C)n(-c3nc4c(c(NCc5ccccc5)n3)CNCC4)c2c1.
What is the InChIKey of N-benzyl-2-(6-methoxy-2-methylindol-1-yl)-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-amine?
The InChIKey is WNJKFZQLUKVVQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25N5O/c1-16-12-18-8-9-19(30-2)13-22(18)29(16)24-27-21-10-11-25-15-20(21)23(28-24)26-14-17-6-4-3-5-7-17/h3-9,12-13,25H,10-11,14-15H2,1-2H3,(H,26,27,28).
What are the key properties of N-benzyl-2-(6-methoxy-2-methylindol-1-yl)-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-amine?
N-benzyl-2-(6-methoxy-2-methylindol-1-yl)-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-amine has a molecular weight of 399.50 g/mol, XLogP of 4.00, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-2-(6-methoxy-2-methylindol-1-yl)-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-amine is sourced from PubChem (CID 127039990), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).