(7R)-5-methyl-7-(2-phenylmethoxyphenyl)-N-pyridin-3-yl-4,7-dihydrotetrazolo[1,5-a]pyrimidine-6-carboxamide

C24H21N7O2 — CID 136828848

IUPAC(7R)-5-methyl-7-(2-phenylmethoxyphenyl)-N-pyridin-3-yl-4,7-dihydrotetrazolo[1,5-a]pyrimidine-6-carboxamide
SMILESCC1=C(C(=O)Nc2cccnc2)[C@@H](c2ccccc2OCc2ccccc2)n2nnnc2N1
InChIInChI=1S/C24H21N7O2/c1-16-21(23(32)27-18-10-7-13-25-14-18)22(31-24(26-16)28-29-30-31)19-11-5-6-12-20(19)33-15-17-8-3-2-4-9-17/h2-14,22H,15H2,1H3,(H,27,32)(H,26,28,30)/t22-/m1/s1
InChIKeyCGAQYZLBULBDOA-JOCHJYFZSA-N
MW439.48 g/mol
LogP3.57
Rot. Bonds6

About (7R)-5-methyl-7-(2-phenylmethoxyphenyl)-N-pyridin-3-yl-4,7-dihydrotetrazolo[1,5-a]pyrimidine-6-carboxamide

(7R)-5-methyl-7-(2-phenylmethoxyphenyl)-N-pyridin-3-yl-4,7-dihydrotetrazolo[1,5-a]pyrimidine-6-carboxamide (PubChem CID 136828848) has the molecular formula C24H21N7O2 and a molecular weight of 439.48 g/mol. Its IUPAC name is (7R)-5-methyl-7-(2-phenylmethoxyphenyl)-N-pyridin-3-yl-4,7-dihydrotetrazolo[1,5-a]pyrimidine-6-carboxamide.

Molecular Properties

Compound Name(7R)-5-methyl-7-(2-phenylmethoxyphenyl)-N-pyridin-3-yl-4,7-dihydrotetrazolo[1,5-a]pyrimidine-6-carboxamide
PubChem CID136828848
Molecular FormulaC24H21N7O2
Molecular Weight439.48 g/mol
Exact Mass439.18
IUPAC Name(7R)-5-methyl-7-(2-phenylmethoxyphenyl)-N-pyridin-3-yl-4,7-dihydrotetrazolo[1,5-a]pyrimidine-6-carboxamide
SMILESCC1=C(C(=O)Nc2cccnc2)[C@@H](c2ccccc2OCc2ccccc2)n2nnnc2N1
InChIInChI=1S/C24H21N7O2/c1-16-21(23(32)27-18-10-7-13-25-14-18)22(31-24(26-16)28-29-30-31)19-11-5-6-12-20(19)33-15-17-8-3-2-4-9-17/h2-14,22H,15H2,1H3,(H,27,32)(H,26,28,30)/t22-/m1/s1
InChIKeyCGAQYZLBULBDOA-JOCHJYFZSA-N
XLogP3.57
TPSA106.85 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500439.48
LogP ≤ 53.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Related Compounds

(7R)-5-methyl-N-(2-methylphenyl)-7-(2-phenylmethoxyphenyl)-4,7-dihydrotetrazolo[1,5-a]pyrimidine-6-carboxamide
CID 993210
(7S)-7-(2-ethoxyphenyl)-5-methyl-N-phenyl-4,7-dihydrotetrazolo[1,5-a]pyrimidine-6-carboxamide
CID 1192300
(7R)-5-methyl-7-phenyl-N-pyridin-3-yl-4,7-dihydrotetrazolo[1,5-a]pyrimidine-6-carboxamide
CID 693556
7-(2-butoxyphenyl)-5-methyl-N-phenyl-4,7-dihydrotetrazolo[1,5-a]pyrimidine-6-carboxamide
CID 135827122
5-methyl-N-(2-methylphenyl)-7-[2-[(4-methylphenyl)methoxy]phenyl]-4,7-dihydrotetrazolo[1,5-a]pyrimidine-6-carboxamide
CID 135827189
7-(5-bromo-2-phenylmethoxyphenyl)-5-methyl-N-(4-methylphenyl)-4,7-dihydrotetrazolo[1,5-a]pyrimidine-6-carboxamide
CID 135805340
(7S)-7-(3-methoxy-4-phenylmethoxyphenyl)-5-methyl-N-phenyl-4,7-dihydrotetrazolo[1,5-a]pyrimidine-6-carboxamide
CID 1034053
(7R)-7-(4-methoxyphenyl)-5-methyl-N-pyridin-3-yl-4,7-dihydrotetrazolo[1,5-a]pyrimidine-6-carboxamide
CID 1188356
5-methyl-7-[2-[(4-methylphenyl)methoxy]phenyl]-4,7-dihydrotetrazolo[1,5-a]pyrimidine-6-carboxamide
CID 135827187
benzyl 7-[2-[(4-chlorophenyl)methoxy]phenyl]-5-methyl-4,7-dihydrotetrazolo[1,5-a]pyrimidine-6-carboxylate
CID 135827160
7-(2-ethoxyphenyl)-5-methyl-N,2-dipyridin-3-yl-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide
CID 135723352
(7S)-7-(2-fluorophenyl)-5-methyl-N-phenyl-4,7-dihydrotetrazolo[1,5-a]pyrimidine-6-carboxamide
CID 135845439

Frequently Asked Questions

What is the IUPAC name of (7R)-5-methyl-7-(2-phenylmethoxyphenyl)-N-pyridin-3-yl-4,7-dihydrotetrazolo[1,5-a]pyrimidine-6-carboxamide?
The IUPAC name of (7R)-5-methyl-7-(2-phenylmethoxyphenyl)-N-pyridin-3-yl-4,7-dihydrotetrazolo[1,5-a]pyrimidine-6-carboxamide (CID 136828848) is (7R)-5-methyl-7-(2-phenylmethoxyphenyl)-N-pyridin-3-yl-4,7-dihydrotetrazolo[1,5-a]pyrimidine-6-carboxamide.
What is the SMILES notation for (7R)-5-methyl-7-(2-phenylmethoxyphenyl)-N-pyridin-3-yl-4,7-dihydrotetrazolo[1,5-a]pyrimidine-6-carboxamide?
The canonical SMILES for (7R)-5-methyl-7-(2-phenylmethoxyphenyl)-N-pyridin-3-yl-4,7-dihydrotetrazolo[1,5-a]pyrimidine-6-carboxamide is CC1=C(C(=O)Nc2cccnc2)[C@@H](c2ccccc2OCc2ccccc2)n2nnnc2N1.
What is the InChIKey of (7R)-5-methyl-7-(2-phenylmethoxyphenyl)-N-pyridin-3-yl-4,7-dihydrotetrazolo[1,5-a]pyrimidine-6-carboxamide?
The InChIKey is CGAQYZLBULBDOA-JOCHJYFZSA-N. The full InChI is InChI=1S/C24H21N7O2/c1-16-21(23(32)27-18-10-7-13-25-14-18)22(31-24(26-16)28-29-30-31)19-11-5-6-12-20(19)33-15-17-8-3-2-4-9-17/h2-14,22H,15H2,1H3,(H,27,32)(H,26,28,30)/t22-/m1/s1.
What are the key properties of (7R)-5-methyl-7-(2-phenylmethoxyphenyl)-N-pyridin-3-yl-4,7-dihydrotetrazolo[1,5-a]pyrimidine-6-carboxamide?
(7R)-5-methyl-7-(2-phenylmethoxyphenyl)-N-pyridin-3-yl-4,7-dihydrotetrazolo[1,5-a]pyrimidine-6-carboxamide has a molecular weight of 439.48 g/mol, XLogP of 3.57, 6 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for (7R)-5-methyl-7-(2-phenylmethoxyphenyl)-N-pyridin-3-yl-4,7-dihydrotetrazolo[1,5-a]pyrimidine-6-carboxamide is sourced from PubChem (CID 136828848), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).