N-[[5-[4-(ethylamino)pyrimidin-2-yl]-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-2-yl]methyl]cyclobutanecarboxamide

C19H27N7O — CID 70706277

IUPACN-[[5-[4-(ethylamino)pyrimidin-2-yl]-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-2-yl]methyl]cyclobutanecarboxamide
SMILESCCNc1ccnc(N2CCCn3nc(CNC(=O)C4CCC4)cc3C2)n1
InChIInChI=1S/C19H27N7O/c1-2-20-17-7-8-21-19(23-17)25-9-4-10-26-16(13-25)11-15(24-26)12-22-18(27)14-5-3-6-14/h7-8,11,14H,2-6,9-10,12-13H2,1H3,(H,22,27)(H,20,21,23)
InChIKeyZAHVTQAOVXHSMG-UHFFFAOYSA-N
MW369.47 g/mol
LogP1.93
Rot. Bonds6

About N-[[5-[4-(ethylamino)pyrimidin-2-yl]-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-2-yl]methyl]cyclobutanecarboxamide

N-[[5-[4-(ethylamino)pyrimidin-2-yl]-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-2-yl]methyl]cyclobutanecarboxamide (PubChem CID 70706277) has the molecular formula C19H27N7O and a molecular weight of 369.47 g/mol. Its IUPAC name is N-[[5-[4-(ethylamino)pyrimidin-2-yl]-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-2-yl]methyl]cyclobutanecarboxamide.

Molecular Properties

Compound NameN-[[5-[4-(ethylamino)pyrimidin-2-yl]-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-2-yl]methyl]cyclobutanecarboxamide
PubChem CID70706277
Molecular FormulaC19H27N7O
Molecular Weight369.47 g/mol
Exact Mass369.23
IUPAC NameN-[[5-[4-(ethylamino)pyrimidin-2-yl]-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-2-yl]methyl]cyclobutanecarboxamide
SMILESCCNc1ccnc(N2CCCn3nc(CNC(=O)C4CCC4)cc3C2)n1
InChIInChI=1S/C19H27N7O/c1-2-20-17-7-8-21-19(23-17)25-9-4-10-26-16(13-25)11-15(24-26)12-22-18(27)14-5-3-6-14/h7-8,11,14H,2-6,9-10,12-13H2,1H3,(H,22,27)(H,20,21,23)
InChIKeyZAHVTQAOVXHSMG-UHFFFAOYSA-N
XLogP1.93
TPSA87.97 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.47
LogP ≤ 51.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-[[5-[4-(ethylamino)pyrimidin-2-yl]-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-2-yl]methyl]cyclobutanecarboxamide?
The IUPAC name of N-[[5-[4-(ethylamino)pyrimidin-2-yl]-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-2-yl]methyl]cyclobutanecarboxamide (CID 70706277) is N-[[5-[4-(ethylamino)pyrimidin-2-yl]-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-2-yl]methyl]cyclobutanecarboxamide.
What is the SMILES notation for N-[[5-[4-(ethylamino)pyrimidin-2-yl]-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-2-yl]methyl]cyclobutanecarboxamide?
The canonical SMILES for N-[[5-[4-(ethylamino)pyrimidin-2-yl]-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-2-yl]methyl]cyclobutanecarboxamide is CCNc1ccnc(N2CCCn3nc(CNC(=O)C4CCC4)cc3C2)n1.
What is the InChIKey of N-[[5-[4-(ethylamino)pyrimidin-2-yl]-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-2-yl]methyl]cyclobutanecarboxamide?
The InChIKey is ZAHVTQAOVXHSMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27N7O/c1-2-20-17-7-8-21-19(23-17)25-9-4-10-26-16(13-25)11-15(24-26)12-22-18(27)14-5-3-6-14/h7-8,11,14H,2-6,9-10,12-13H2,1H3,(H,22,27)(H,20,21,23).
What are the key properties of N-[[5-[4-(ethylamino)pyrimidin-2-yl]-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-2-yl]methyl]cyclobutanecarboxamide?
N-[[5-[4-(ethylamino)pyrimidin-2-yl]-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-2-yl]methyl]cyclobutanecarboxamide has a molecular weight of 369.47 g/mol, XLogP of 1.93, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-[4-(ethylamino)pyrimidin-2-yl]-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-2-yl]methyl]cyclobutanecarboxamide is sourced from PubChem (CID 70706277), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).