(6-methyl-3-pyridinyl)-[3-(morpholin-4-ylmethyl)-1-propan-2-yl-4,6-dihydropyrrolo[3,4-d]pyrazol-5-yl]methanone

C20H27N5O2 — CID 155875557

IUPAC(6-methyl-3-pyridinyl)-[3-(morpholin-4-ylmethyl)-1-propan-2-yl-4,6-dihydropyrrolo[3,4-d]pyrazol-5-yl]methanone
SMILESCc1ccc(C(=O)N2Cc3c(CN4CCOCC4)nn(C(C)C)c3C2)cn1
InChIInChI=1S/C20H27N5O2/c1-14(2)25-19-13-24(20(26)16-5-4-15(3)21-10-16)11-17(19)18(22-25)12-23-6-8-27-9-7-23/h4-5,10,14H,6-9,11-13H2,1-3H3
InChIKeySGNKMSJBHSGJDN-UHFFFAOYSA-N
MW369.47 g/mol
LogP2.16
Rot. Bonds4

About (6-methyl-3-pyridinyl)-[3-(morpholin-4-ylmethyl)-1-propan-2-yl-4,6-dihydropyrrolo[3,4-d]pyrazol-5-yl]methanone

(6-methyl-3-pyridinyl)-[3-(morpholin-4-ylmethyl)-1-propan-2-yl-4,6-dihydropyrrolo[3,4-d]pyrazol-5-yl]methanone (PubChem CID 155875557) has the molecular formula C20H27N5O2 and a molecular weight of 369.47 g/mol. Its IUPAC name is (6-methyl-3-pyridinyl)-[3-(morpholin-4-ylmethyl)-1-propan-2-yl-4,6-dihydropyrrolo[3,4-d]pyrazol-5-yl]methanone.

Molecular Properties

Compound Name(6-methyl-3-pyridinyl)-[3-(morpholin-4-ylmethyl)-1-propan-2-yl-4,6-dihydropyrrolo[3,4-d]pyrazol-5-yl]methanone
PubChem CID155875557
Molecular FormulaC20H27N5O2
Molecular Weight369.47 g/mol
Exact Mass369.22
IUPAC Name(6-methyl-3-pyridinyl)-[3-(morpholin-4-ylmethyl)-1-propan-2-yl-4,6-dihydropyrrolo[3,4-d]pyrazol-5-yl]methanone
SMILESCc1ccc(C(=O)N2Cc3c(CN4CCOCC4)nn(C(C)C)c3C2)cn1
InChIInChI=1S/C20H27N5O2/c1-14(2)25-19-13-24(20(26)16-5-4-15(3)21-10-16)11-17(19)18(22-25)12-23-6-8-27-9-7-23/h4-5,10,14H,6-9,11-13H2,1-3H3
InChIKeySGNKMSJBHSGJDN-UHFFFAOYSA-N
XLogP2.16
TPSA63.49 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.47
LogP ≤ 52.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of (6-methyl-3-pyridinyl)-[3-(morpholin-4-ylmethyl)-1-propan-2-yl-4,6-dihydropyrrolo[3,4-d]pyrazol-5-yl]methanone?
The IUPAC name of (6-methyl-3-pyridinyl)-[3-(morpholin-4-ylmethyl)-1-propan-2-yl-4,6-dihydropyrrolo[3,4-d]pyrazol-5-yl]methanone (CID 155875557) is (6-methyl-3-pyridinyl)-[3-(morpholin-4-ylmethyl)-1-propan-2-yl-4,6-dihydropyrrolo[3,4-d]pyrazol-5-yl]methanone.
What is the SMILES notation for (6-methyl-3-pyridinyl)-[3-(morpholin-4-ylmethyl)-1-propan-2-yl-4,6-dihydropyrrolo[3,4-d]pyrazol-5-yl]methanone?
The canonical SMILES for (6-methyl-3-pyridinyl)-[3-(morpholin-4-ylmethyl)-1-propan-2-yl-4,6-dihydropyrrolo[3,4-d]pyrazol-5-yl]methanone is Cc1ccc(C(=O)N2Cc3c(CN4CCOCC4)nn(C(C)C)c3C2)cn1.
What is the InChIKey of (6-methyl-3-pyridinyl)-[3-(morpholin-4-ylmethyl)-1-propan-2-yl-4,6-dihydropyrrolo[3,4-d]pyrazol-5-yl]methanone?
The InChIKey is SGNKMSJBHSGJDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27N5O2/c1-14(2)25-19-13-24(20(26)16-5-4-15(3)21-10-16)11-17(19)18(22-25)12-23-6-8-27-9-7-23/h4-5,10,14H,6-9,11-13H2,1-3H3.
What are the key properties of (6-methyl-3-pyridinyl)-[3-(morpholin-4-ylmethyl)-1-propan-2-yl-4,6-dihydropyrrolo[3,4-d]pyrazol-5-yl]methanone?
(6-methyl-3-pyridinyl)-[3-(morpholin-4-ylmethyl)-1-propan-2-yl-4,6-dihydropyrrolo[3,4-d]pyrazol-5-yl]methanone has a molecular weight of 369.47 g/mol, XLogP of 2.16, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (6-methyl-3-pyridinyl)-[3-(morpholin-4-ylmethyl)-1-propan-2-yl-4,6-dihydropyrrolo[3,4-d]pyrazol-5-yl]methanone is sourced from PubChem (CID 155875557), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).