N-[[5-[(2-methoxy-3-pyridinyl)methyl]-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-7-yl]methyl]pyrimidin-2-amine

C19H23N7O — CID 131656289

IUPACN-[[5-[(2-methoxy-3-pyridinyl)methyl]-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-7-yl]methyl]pyrimidin-2-amine
SMILESCOc1ncccc1CN1Cc2ccnn2CC(CNc2ncccn2)C1
InChIInChI=1S/C19H23N7O/c1-27-18-16(4-2-6-20-18)13-25-11-15(10-23-19-21-7-3-8-22-19)12-26-17(14-25)5-9-24-26/h2-9,15H,10-14H2,1H3,(H,21,22,23)
InChIKeyHIRFCCJVLODCPM-UHFFFAOYSA-N
MW365.44 g/mol
LogP1.82
Rot. Bonds6

About N-[[5-[(2-methoxy-3-pyridinyl)methyl]-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-7-yl]methyl]pyrimidin-2-amine

N-[[5-[(2-methoxy-3-pyridinyl)methyl]-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-7-yl]methyl]pyrimidin-2-amine (PubChem CID 131656289) has the molecular formula C19H23N7O and a molecular weight of 365.44 g/mol. Its IUPAC name is N-[[5-[(2-methoxy-3-pyridinyl)methyl]-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-7-yl]methyl]pyrimidin-2-amine.

Molecular Properties

Compound NameN-[[5-[(2-methoxy-3-pyridinyl)methyl]-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-7-yl]methyl]pyrimidin-2-amine
PubChem CID131656289
Molecular FormulaC19H23N7O
Molecular Weight365.44 g/mol
Exact Mass365.20
IUPAC NameN-[[5-[(2-methoxy-3-pyridinyl)methyl]-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-7-yl]methyl]pyrimidin-2-amine
SMILESCOc1ncccc1CN1Cc2ccnn2CC(CNc2ncccn2)C1
InChIInChI=1S/C19H23N7O/c1-27-18-16(4-2-6-20-18)13-25-11-15(10-23-19-21-7-3-8-22-19)12-26-17(14-25)5-9-24-26/h2-9,15H,10-14H2,1H3,(H,21,22,23)
InChIKeyHIRFCCJVLODCPM-UHFFFAOYSA-N
XLogP1.82
TPSA80.99 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.44
LogP ≤ 51.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze N-[[5-[(2-methoxy-3-pyridinyl)methyl]-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-7-yl]methyl]pyrimidin-2-amine with MolForge

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Related Compounds

N-[[5-[(3-chlorophenyl)methyl]-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-7-yl]methyl]pyrimidin-2-amine
CID 131643430
N-[[5-[(2-methoxy-3-pyridinyl)methyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-7-yl]methyl]methanesulfonamide
CID 133137080
2-(furan-2-yl)-1-[7-[(pyrimidin-2-ylamino)methyl]-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-5-yl]ethanone
CID 133140707
N-[(5-propylsulfonyl-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-7-yl)methyl]pyrimidin-2-amine
CID 133141858
N-[2-[5-[(2-methoxy-3-pyridinyl)methyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-7-yl]ethyl]methanesulfonamide
CID 131642351
N-cyclobutyl-5-[(2-methoxy-3-pyridinyl)methyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-7-carboxamide
CID 131655766
(3,3-difluoroazetidin-1-yl)-[5-[(2-methoxy-3-pyridinyl)methyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-7-yl]methanone
CID 133140973
3-[[3-(2-chloroethyl)pyrrolidin-1-yl]methyl]-2-methoxypyridine
CID 114800698
(3aS,6aR)-2-[(2-methoxy-3-pyridinyl)methyl]-5-pyrimidin-2-yl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole
CID 97457922
(7S)-7-(methoxymethyl)-5-[(4-methoxyphenyl)methyl]-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepine
CID 97463317
3-[[4-(bromomethyl)piperidin-1-yl]methyl]-2-methoxypyridine
CID 80676486
1-[(2-methoxy-3-pyridinyl)methyl]piperazine
CID 22032016

Frequently Asked Questions

What is the IUPAC name of N-[[5-[(2-methoxy-3-pyridinyl)methyl]-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-7-yl]methyl]pyrimidin-2-amine?
The IUPAC name of N-[[5-[(2-methoxy-3-pyridinyl)methyl]-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-7-yl]methyl]pyrimidin-2-amine (CID 131656289) is N-[[5-[(2-methoxy-3-pyridinyl)methyl]-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-7-yl]methyl]pyrimidin-2-amine.
What is the SMILES notation for N-[[5-[(2-methoxy-3-pyridinyl)methyl]-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-7-yl]methyl]pyrimidin-2-amine?
The canonical SMILES for N-[[5-[(2-methoxy-3-pyridinyl)methyl]-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-7-yl]methyl]pyrimidin-2-amine is COc1ncccc1CN1Cc2ccnn2CC(CNc2ncccn2)C1.
What is the InChIKey of N-[[5-[(2-methoxy-3-pyridinyl)methyl]-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-7-yl]methyl]pyrimidin-2-amine?
The InChIKey is HIRFCCJVLODCPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N7O/c1-27-18-16(4-2-6-20-18)13-25-11-15(10-23-19-21-7-3-8-22-19)12-26-17(14-25)5-9-24-26/h2-9,15H,10-14H2,1H3,(H,21,22,23).
What are the key properties of N-[[5-[(2-methoxy-3-pyridinyl)methyl]-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-7-yl]methyl]pyrimidin-2-amine?
N-[[5-[(2-methoxy-3-pyridinyl)methyl]-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-7-yl]methyl]pyrimidin-2-amine has a molecular weight of 365.44 g/mol, XLogP of 1.82, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-[(2-methoxy-3-pyridinyl)methyl]-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-7-yl]methyl]pyrimidin-2-amine is sourced from PubChem (CID 131656289), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).