N-(1-pyrimidin-2-ylpiperidin-3-yl)-3-(5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a][1,4]diazepin-2-yl)propanamide

C19H27N7O — CID 70785953

IUPACN-(1-pyrimidin-2-ylpiperidin-3-yl)-3-(5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a][1,4]diazepin-2-yl)propanamide
SMILESO=C(CCc1cc2n(n1)CCCNC2)NC1CCCN(c2ncccn2)C1
InChIInChI=1S/C19H27N7O/c27-18(6-5-15-12-17-13-20-7-3-11-26(17)24-15)23-16-4-1-10-25(14-16)19-21-8-2-9-22-19/h2,8-9,12,16,20H,1,3-7,10-11,13-14H2,(H,23,27)
InChIKeyMNSPXGOBCCUGMT-UHFFFAOYSA-N
MW369.47 g/mol
LogP0.88
Rot. Bonds5

About N-(1-pyrimidin-2-ylpiperidin-3-yl)-3-(5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a][1,4]diazepin-2-yl)propanamide

N-(1-pyrimidin-2-ylpiperidin-3-yl)-3-(5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a][1,4]diazepin-2-yl)propanamide (PubChem CID 70785953) has the molecular formula C19H27N7O and a molecular weight of 369.47 g/mol. Its IUPAC name is N-(1-pyrimidin-2-ylpiperidin-3-yl)-3-(5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a][1,4]diazepin-2-yl)propanamide.

Molecular Properties

Compound NameN-(1-pyrimidin-2-ylpiperidin-3-yl)-3-(5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a][1,4]diazepin-2-yl)propanamide
PubChem CID70785953
Molecular FormulaC19H27N7O
Molecular Weight369.47 g/mol
Exact Mass369.23
IUPAC NameN-(1-pyrimidin-2-ylpiperidin-3-yl)-3-(5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a][1,4]diazepin-2-yl)propanamide
SMILESO=C(CCc1cc2n(n1)CCCNC2)NC1CCCN(c2ncccn2)C1
InChIInChI=1S/C19H27N7O/c27-18(6-5-15-12-17-13-20-7-3-11-26(17)24-15)23-16-4-1-10-25(14-16)19-21-8-2-9-22-19/h2,8-9,12,16,20H,1,3-7,10-11,13-14H2,(H,23,27)
InChIKeyMNSPXGOBCCUGMT-UHFFFAOYSA-N
XLogP0.88
TPSA87.97 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.47
LogP ≤ 50.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze N-(1-pyrimidin-2-ylpiperidin-3-yl)-3-(5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a][1,4]diazepin-2-yl)propanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[(6R)-6-methyl-2-[(1-methylpyrazol-3-yl)methylamino]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]-[(3R,4S)-1-methyl-3-(trifluoromethyl)piperidin-4-yl]methanone
CID 163200295
1-[3-(3,5-Dimethylpyrazol-1-yl)piperidin-1-yl]-4-(pyrimidin-2-ylamino)butan-1-one
CID 53582293
1-[2-[(3,5-Dimethylpyrazol-1-yl)methyl]pyrrolidin-1-yl]-4-(pyrimidin-2-ylamino)butan-1-one
CID 53625143
N-{[5-(cyclobutylcarbonyl)-5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a][1,4]diazepin-2-yl]methyl}-2-methylpyrimidin-4-amine
CID 70708303
3-isopropyl-1-methyl-N-{[1-(2-pyrimidinyl)-3-piperidinyl]methyl}-1H-pyrazole-5-carboxamide
CID 70713542
N~4~-{[5-(cyclobutylcarbonyl)-5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a][1,4]diazepin-2-yl]methyl}pyrimidine-2,4-diamine
CID 70714900
N-methyl-N-{[2-(methylamino)-5-pyrimidinyl]methyl}-3-(5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a][1,4]diazepin-2-yl)propanamide dihydrochloride
CID 70724697
N-[(5-acetyl-5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a][1,4]diazepin-2-yl)methyl]-6-methylpyrimidin-4-amine
CID 70741596
N-{[5-(cyclobutylcarbonyl)-5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a][1,4]diazepin-2-yl]methyl}-6-methylpyrimidin-4-amine
CID 70754386
N~4~-[(5-cyclohexyl-5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a][1,4]diazepin-2-yl)methyl]pyrimidine-2,4-diamine
CID 70755067
N-{[5-(cyclobutylcarbonyl)-5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a][1,4]diazepin-2-yl]methyl}pyrimidin-2-amine
CID 70767265
4-(Pyrimidin-2-ylamino)-1-[2-(1,3,5-trimethylpyrazol-4-yl)pyrrolidin-1-yl]butan-1-one
CID 72044220

Frequently Asked Questions

What is the IUPAC name of N-(1-pyrimidin-2-ylpiperidin-3-yl)-3-(5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a][1,4]diazepin-2-yl)propanamide?
The IUPAC name of N-(1-pyrimidin-2-ylpiperidin-3-yl)-3-(5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a][1,4]diazepin-2-yl)propanamide (CID 70785953) is N-(1-pyrimidin-2-ylpiperidin-3-yl)-3-(5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a][1,4]diazepin-2-yl)propanamide.
What is the SMILES notation for N-(1-pyrimidin-2-ylpiperidin-3-yl)-3-(5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a][1,4]diazepin-2-yl)propanamide?
The canonical SMILES for N-(1-pyrimidin-2-ylpiperidin-3-yl)-3-(5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a][1,4]diazepin-2-yl)propanamide is O=C(CCc1cc2n(n1)CCCNC2)NC1CCCN(c2ncccn2)C1.
What is the InChIKey of N-(1-pyrimidin-2-ylpiperidin-3-yl)-3-(5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a][1,4]diazepin-2-yl)propanamide?
The InChIKey is MNSPXGOBCCUGMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27N7O/c27-18(6-5-15-12-17-13-20-7-3-11-26(17)24-15)23-16-4-1-10-25(14-16)19-21-8-2-9-22-19/h2,8-9,12,16,20H,1,3-7,10-11,13-14H2,(H,23,27).
What are the key properties of N-(1-pyrimidin-2-ylpiperidin-3-yl)-3-(5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a][1,4]diazepin-2-yl)propanamide?
N-(1-pyrimidin-2-ylpiperidin-3-yl)-3-(5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a][1,4]diazepin-2-yl)propanamide has a molecular weight of 369.47 g/mol, XLogP of 0.88, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-pyrimidin-2-ylpiperidin-3-yl)-3-(5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a][1,4]diazepin-2-yl)propanamide is sourced from PubChem (CID 70785953), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).