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

C16H21N5O2 — CID 97405356

IUPAC[1-methyl-3-(morpholin-4-ylmethyl)-4,6-dihydropyrrolo[3,4-d]pyrazol-5-yl]-(1H-pyrrol-2-yl)methanone
SMILESCn1nc(CN2CCOCC2)c2c1CN(C(=O)c1ccc[nH]1)C2
InChIInChI=1S/C16H21N5O2/c1-19-15-11-21(16(22)13-3-2-4-17-13)9-12(15)14(18-19)10-20-5-7-23-8-6-20/h2-4,17H,5-11H2,1H3
InChIKeyCTRFHPYGHWBDIK-UHFFFAOYSA-N
MW315.38 g/mol
LogP0.74
Rot. Bonds3

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

[1-methyl-3-(morpholin-4-ylmethyl)-4,6-dihydropyrrolo[3,4-d]pyrazol-5-yl]-(1H-pyrrol-2-yl)methanone (PubChem CID 97405356) has the molecular formula C16H21N5O2 and a molecular weight of 315.38 g/mol. Its IUPAC name is [1-methyl-3-(morpholin-4-ylmethyl)-4,6-dihydropyrrolo[3,4-d]pyrazol-5-yl]-(1H-pyrrol-2-yl)methanone.

Molecular Properties

Compound Name[1-methyl-3-(morpholin-4-ylmethyl)-4,6-dihydropyrrolo[3,4-d]pyrazol-5-yl]-(1H-pyrrol-2-yl)methanone
PubChem CID97405356
Molecular FormulaC16H21N5O2
Molecular Weight315.38 g/mol
Exact Mass315.17
IUPAC Name[1-methyl-3-(morpholin-4-ylmethyl)-4,6-dihydropyrrolo[3,4-d]pyrazol-5-yl]-(1H-pyrrol-2-yl)methanone
SMILESCn1nc(CN2CCOCC2)c2c1CN(C(=O)c1ccc[nH]1)C2
InChIInChI=1S/C16H21N5O2/c1-19-15-11-21(16(22)13-3-2-4-17-13)9-12(15)14(18-19)10-20-5-7-23-8-6-20/h2-4,17H,5-11H2,1H3
InChIKeyCTRFHPYGHWBDIK-UHFFFAOYSA-N
XLogP0.74
TPSA66.39 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.38
LogP ≤ 50.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [1-methyl-3-(morpholin-4-ylmethyl)-4,6-dihydropyrrolo[3,4-d]pyrazol-5-yl]-(1H-pyrrol-2-yl)methanone?
The IUPAC name of [1-methyl-3-(morpholin-4-ylmethyl)-4,6-dihydropyrrolo[3,4-d]pyrazol-5-yl]-(1H-pyrrol-2-yl)methanone (CID 97405356) is [1-methyl-3-(morpholin-4-ylmethyl)-4,6-dihydropyrrolo[3,4-d]pyrazol-5-yl]-(1H-pyrrol-2-yl)methanone.
What is the SMILES notation for [1-methyl-3-(morpholin-4-ylmethyl)-4,6-dihydropyrrolo[3,4-d]pyrazol-5-yl]-(1H-pyrrol-2-yl)methanone?
The canonical SMILES for [1-methyl-3-(morpholin-4-ylmethyl)-4,6-dihydropyrrolo[3,4-d]pyrazol-5-yl]-(1H-pyrrol-2-yl)methanone is Cn1nc(CN2CCOCC2)c2c1CN(C(=O)c1ccc[nH]1)C2.
What is the InChIKey of [1-methyl-3-(morpholin-4-ylmethyl)-4,6-dihydropyrrolo[3,4-d]pyrazol-5-yl]-(1H-pyrrol-2-yl)methanone?
The InChIKey is CTRFHPYGHWBDIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N5O2/c1-19-15-11-21(16(22)13-3-2-4-17-13)9-12(15)14(18-19)10-20-5-7-23-8-6-20/h2-4,17H,5-11H2,1H3.
What are the key properties of [1-methyl-3-(morpholin-4-ylmethyl)-4,6-dihydropyrrolo[3,4-d]pyrazol-5-yl]-(1H-pyrrol-2-yl)methanone?
[1-methyl-3-(morpholin-4-ylmethyl)-4,6-dihydropyrrolo[3,4-d]pyrazol-5-yl]-(1H-pyrrol-2-yl)methanone has a molecular weight of 315.38 g/mol, XLogP of 0.74, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [1-methyl-3-(morpholin-4-ylmethyl)-4,6-dihydropyrrolo[3,4-d]pyrazol-5-yl]-(1H-pyrrol-2-yl)methanone is sourced from PubChem (CID 97405356), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).