2-[[4-(pyridin-2-ylmethoxy)piperidin-1-yl]methyl]-5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a][1,4]diazepine

C19H27N5O — CID 56897873

IUPAC2-[[4-(pyridin-2-ylmethoxy)piperidin-1-yl]methyl]-5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a][1,4]diazepine
SMILESc1ccc(COC2CCN(Cc3cc4n(n3)CCCNC4)CC2)nc1
InChIInChI=1S/C19H27N5O/c1-2-8-21-16(4-1)15-25-19-5-10-23(11-6-19)14-17-12-18-13-20-7-3-9-24(18)22-17/h1-2,4,8,12,19-20H,3,5-7,9-11,13-15H2
InChIKeyHVRWZPKLJDJFEE-UHFFFAOYSA-N
MW341.46 g/mol
LogP1.95
Rot. Bonds5

About 2-[[4-(pyridin-2-ylmethoxy)piperidin-1-yl]methyl]-5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a][1,4]diazepine

2-[[4-(pyridin-2-ylmethoxy)piperidin-1-yl]methyl]-5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a][1,4]diazepine (PubChem CID 56897873) has the molecular formula C19H27N5O and a molecular weight of 341.46 g/mol. Its IUPAC name is 2-[[4-(pyridin-2-ylmethoxy)piperidin-1-yl]methyl]-5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a][1,4]diazepine.

Molecular Properties

Compound Name2-[[4-(pyridin-2-ylmethoxy)piperidin-1-yl]methyl]-5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a][1,4]diazepine
PubChem CID56897873
Molecular FormulaC19H27N5O
Molecular Weight341.46 g/mol
Exact Mass341.22
IUPAC Name2-[[4-(pyridin-2-ylmethoxy)piperidin-1-yl]methyl]-5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a][1,4]diazepine
SMILESc1ccc(COC2CCN(Cc3cc4n(n3)CCCNC4)CC2)nc1
InChIInChI=1S/C19H27N5O/c1-2-8-21-16(4-1)15-25-19-5-10-23(11-6-19)14-17-12-18-13-20-7-3-9-24(18)22-17/h1-2,4,8,12,19-20H,3,5-7,9-11,13-15H2
InChIKeyHVRWZPKLJDJFEE-UHFFFAOYSA-N
XLogP1.95
TPSA55.21 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.46
LogP ≤ 51.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[[4-(pyridin-2-ylmethoxy)piperidin-1-yl]methyl]-5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a][1,4]diazepine?
The IUPAC name of 2-[[4-(pyridin-2-ylmethoxy)piperidin-1-yl]methyl]-5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a][1,4]diazepine (CID 56897873) is 2-[[4-(pyridin-2-ylmethoxy)piperidin-1-yl]methyl]-5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a][1,4]diazepine.
What is the SMILES notation for 2-[[4-(pyridin-2-ylmethoxy)piperidin-1-yl]methyl]-5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a][1,4]diazepine?
The canonical SMILES for 2-[[4-(pyridin-2-ylmethoxy)piperidin-1-yl]methyl]-5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a][1,4]diazepine is c1ccc(COC2CCN(Cc3cc4n(n3)CCCNC4)CC2)nc1.
What is the InChIKey of 2-[[4-(pyridin-2-ylmethoxy)piperidin-1-yl]methyl]-5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a][1,4]diazepine?
The InChIKey is HVRWZPKLJDJFEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27N5O/c1-2-8-21-16(4-1)15-25-19-5-10-23(11-6-19)14-17-12-18-13-20-7-3-9-24(18)22-17/h1-2,4,8,12,19-20H,3,5-7,9-11,13-15H2.
What are the key properties of 2-[[4-(pyridin-2-ylmethoxy)piperidin-1-yl]methyl]-5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a][1,4]diazepine?
2-[[4-(pyridin-2-ylmethoxy)piperidin-1-yl]methyl]-5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a][1,4]diazepine has a molecular weight of 341.46 g/mol, XLogP of 1.95, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[4-(pyridin-2-ylmethoxy)piperidin-1-yl]methyl]-5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a][1,4]diazepine is sourced from PubChem (CID 56897873), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).