N-benzyl-2-[2-methyl-4-(2H-tetrazol-5-yl)indol-1-yl]-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-amine

C24H23N9 — CID 127041309

IUPACN-benzyl-2-[2-methyl-4-(2H-tetrazol-5-yl)indol-1-yl]-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-amine
SMILESCc1cc2c(-c3nn[nH]n3)cccc2n1-c1nc2c(c(NCc3ccccc3)n1)CNCC2
InChIInChI=1S/C24H23N9/c1-15-12-18-17(23-29-31-32-30-23)8-5-9-21(18)33(15)24-27-20-10-11-25-14-19(20)22(28-24)26-13-16-6-3-2-4-7-16/h2-9,12,25H,10-11,13-14H2,1H3,(H,26,27,28)(H,29,30,31,32)
InChIKeyQYBPGHMDCTUFOJ-UHFFFAOYSA-N
MW437.51 g/mol
LogP3.17
Rot. Bonds5

About N-benzyl-2-[2-methyl-4-(2H-tetrazol-5-yl)indol-1-yl]-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-amine

N-benzyl-2-[2-methyl-4-(2H-tetrazol-5-yl)indol-1-yl]-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-amine (PubChem CID 127041309) has the molecular formula C24H23N9 and a molecular weight of 437.51 g/mol. Its IUPAC name is N-benzyl-2-[2-methyl-4-(2H-tetrazol-5-yl)indol-1-yl]-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-amine.

Molecular Properties

Compound NameN-benzyl-2-[2-methyl-4-(2H-tetrazol-5-yl)indol-1-yl]-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-amine
PubChem CID127041309
Molecular FormulaC24H23N9
Molecular Weight437.51 g/mol
Exact Mass437.21
IUPAC NameN-benzyl-2-[2-methyl-4-(2H-tetrazol-5-yl)indol-1-yl]-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-amine
SMILESCc1cc2c(-c3nn[nH]n3)cccc2n1-c1nc2c(c(NCc3ccccc3)n1)CNCC2
InChIInChI=1S/C24H23N9/c1-15-12-18-17(23-29-31-32-30-23)8-5-9-21(18)33(15)24-27-20-10-11-25-14-19(20)22(28-24)26-13-16-6-3-2-4-7-16/h2-9,12,25H,10-11,13-14H2,1H3,(H,26,27,28)(H,29,30,31,32)
InChIKeyQYBPGHMDCTUFOJ-UHFFFAOYSA-N
XLogP3.17
TPSA109.23 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500437.51
LogP ≤ 53.17
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of N-benzyl-2-[2-methyl-4-(2H-tetrazol-5-yl)indol-1-yl]-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-amine?
The IUPAC name of N-benzyl-2-[2-methyl-4-(2H-tetrazol-5-yl)indol-1-yl]-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-amine (CID 127041309) is N-benzyl-2-[2-methyl-4-(2H-tetrazol-5-yl)indol-1-yl]-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-amine.
What is the SMILES notation for N-benzyl-2-[2-methyl-4-(2H-tetrazol-5-yl)indol-1-yl]-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-amine?
The canonical SMILES for N-benzyl-2-[2-methyl-4-(2H-tetrazol-5-yl)indol-1-yl]-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-amine is Cc1cc2c(-c3nn[nH]n3)cccc2n1-c1nc2c(c(NCc3ccccc3)n1)CNCC2.
What is the InChIKey of N-benzyl-2-[2-methyl-4-(2H-tetrazol-5-yl)indol-1-yl]-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-amine?
The InChIKey is QYBPGHMDCTUFOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23N9/c1-15-12-18-17(23-29-31-32-30-23)8-5-9-21(18)33(15)24-27-20-10-11-25-14-19(20)22(28-24)26-13-16-6-3-2-4-7-16/h2-9,12,25H,10-11,13-14H2,1H3,(H,26,27,28)(H,29,30,31,32).
What are the key properties of N-benzyl-2-[2-methyl-4-(2H-tetrazol-5-yl)indol-1-yl]-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-amine?
N-benzyl-2-[2-methyl-4-(2H-tetrazol-5-yl)indol-1-yl]-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-amine has a molecular weight of 437.51 g/mol, XLogP of 3.17, 5 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-2-[2-methyl-4-(2H-tetrazol-5-yl)indol-1-yl]-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-amine is sourced from PubChem (CID 127041309), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).