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(2-methyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl)-[5-(pyrrolidin-3-ylmethyl)-3-pyridinyl]methanone;hydrochloride

C18H24ClN5O — CID 171711105

Data last refreshed: (MolForge compound catalog, from PubChem)

IUPAC(2-methyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl)-[5-(pyrrolidin-3-ylmethyl)-3-pyridinyl]methanone;hydrochloride
SMILESCc1cc2n(n1)CCN(C(=O)c1cncc(CC3CCNC3)c1)C2.Cl
InChIInChI=1S/C18H23N5O.ClH/c1-13-6-17-12-22(4-5-23(17)21-13)18(24)16-8-15(10-20-11-16)7-14-2-3-19-9-14;/h6,8,10-11,14,19H,2-5,7,9,12H2,1H3;1H
InChIKeyDWVQEPSBNOISPV-UHFFFAOYSA-N
MW361.88 g/mol
LogP1.82
Rot. Bonds3

About (2-methyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl)-[5-(pyrrolidin-3-ylmethyl)-3-pyridinyl]methanone;hydrochloride

(2-methyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl)-[5-(pyrrolidin-3-ylmethyl)-3-pyridinyl]methanone;hydrochloride (PubChem CID 171711105) has the molecular formula C18H24ClN5O and a molecular weight of 361.88 g/mol. Its IUPAC name is (2-methyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl)-[5-(pyrrolidin-3-ylmethyl)-3-pyridinyl]methanone;hydrochloride.

Molecular Properties

Compound Name(2-methyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl)-[5-(pyrrolidin-3-ylmethyl)-3-pyridinyl]methanone;hydrochloride
PubChem CID171711105
Molecular FormulaC18H24ClN5O
Molecular Weight361.88 g/mol
Exact Mass361.17
IUPAC Name(2-methyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl)-[5-(pyrrolidin-3-ylmethyl)-3-pyridinyl]methanone;hydrochloride
SMILESCc1cc2n(n1)CCN(C(=O)c1cncc(CC3CCNC3)c1)C2.Cl
InChIInChI=1S/C18H23N5O.ClH/c1-13-6-17-12-22(4-5-23(17)21-13)18(24)16-8-15(10-20-11-16)7-14-2-3-19-9-14;/h6,8,10-11,14,19H,2-5,7,9,12H2,1H3;1H
InChIKeyDWVQEPSBNOISPV-UHFFFAOYSA-N
XLogP1.82
TPSA63.05 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.88
LogP ≤ 51.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (2-methyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl)-[5-(pyrrolidin-3-ylmethyl)-3-pyridinyl]methanone;hydrochloride?
The IUPAC name of (2-methyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl)-[5-(pyrrolidin-3-ylmethyl)-3-pyridinyl]methanone;hydrochloride (CID 171711105) is (2-methyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl)-[5-(pyrrolidin-3-ylmethyl)-3-pyridinyl]methanone;hydrochloride.
What is the SMILES notation for (2-methyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl)-[5-(pyrrolidin-3-ylmethyl)-3-pyridinyl]methanone;hydrochloride?
The canonical SMILES for (2-methyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl)-[5-(pyrrolidin-3-ylmethyl)-3-pyridinyl]methanone;hydrochloride is Cc1cc2n(n1)CCN(C(=O)c1cncc(CC3CCNC3)c1)C2.Cl.
What is the InChIKey of (2-methyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl)-[5-(pyrrolidin-3-ylmethyl)-3-pyridinyl]methanone;hydrochloride?
The InChIKey is DWVQEPSBNOISPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N5O.ClH/c1-13-6-17-12-22(4-5-23(17)21-13)18(24)16-8-15(10-20-11-16)7-14-2-3-19-9-14;/h6,8,10-11,14,19H,2-5,7,9,12H2,1H3;1H.
What are the key properties of (2-methyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl)-[5-(pyrrolidin-3-ylmethyl)-3-pyridinyl]methanone;hydrochloride?
(2-methyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl)-[5-(pyrrolidin-3-ylmethyl)-3-pyridinyl]methanone;hydrochloride has a molecular weight of 361.88 g/mol, XLogP of 1.82, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2-methyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl)-[5-(pyrrolidin-3-ylmethyl)-3-pyridinyl]methanone;hydrochloride is sourced from PubChem (CID 171711105), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

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