[1-(cyclopropylmethyl)-4-[2-(2-methylpyrazol-3-yl)pyrimidin-5-yl]pyrrol-2-yl]-(2,6-dimethylmorpholin-4-yl)methanone

C23H28N6O2 — CID 134078522

IUPAC[1-(cyclopropylmethyl)-4-[2-(2-methylpyrazol-3-yl)pyrimidin-5-yl]pyrrol-2-yl]-(2,6-dimethylmorpholin-4-yl)methanone
SMILESCC1CN(C(=O)c2cc(-c3cnc(-c4ccnn4C)nc3)cn2CC2CC2)CC(C)O1
InChIInChI=1S/C23H28N6O2/c1-15-11-29(12-16(2)31-15)23(30)21-8-18(14-28(21)13-17-4-5-17)19-9-24-22(25-10-19)20-6-7-26-27(20)3/h6-10,14-17H,4-5,11-13H2,1-3H3
InChIKeyINYGXLKUNXQVBS-UHFFFAOYSA-N
MW420.52 g/mol
LogP3.01
Rot. Bonds5

About [1-(cyclopropylmethyl)-4-[2-(2-methylpyrazol-3-yl)pyrimidin-5-yl]pyrrol-2-yl]-(2,6-dimethylmorpholin-4-yl)methanone

[1-(cyclopropylmethyl)-4-[2-(2-methylpyrazol-3-yl)pyrimidin-5-yl]pyrrol-2-yl]-(2,6-dimethylmorpholin-4-yl)methanone (PubChem CID 134078522) has the molecular formula C23H28N6O2 and a molecular weight of 420.52 g/mol. Its IUPAC name is [1-(cyclopropylmethyl)-4-[2-(2-methylpyrazol-3-yl)pyrimidin-5-yl]pyrrol-2-yl]-(2,6-dimethylmorpholin-4-yl)methanone.

Molecular Properties

Compound Name[1-(cyclopropylmethyl)-4-[2-(2-methylpyrazol-3-yl)pyrimidin-5-yl]pyrrol-2-yl]-(2,6-dimethylmorpholin-4-yl)methanone
PubChem CID134078522
Molecular FormulaC23H28N6O2
Molecular Weight420.52 g/mol
Exact Mass420.23
IUPAC Name[1-(cyclopropylmethyl)-4-[2-(2-methylpyrazol-3-yl)pyrimidin-5-yl]pyrrol-2-yl]-(2,6-dimethylmorpholin-4-yl)methanone
SMILESCC1CN(C(=O)c2cc(-c3cnc(-c4ccnn4C)nc3)cn2CC2CC2)CC(C)O1
InChIInChI=1S/C23H28N6O2/c1-15-11-29(12-16(2)31-15)23(30)21-8-18(14-28(21)13-17-4-5-17)19-9-24-22(25-10-19)20-6-7-26-27(20)3/h6-10,14-17H,4-5,11-13H2,1-3H3
InChIKeyINYGXLKUNXQVBS-UHFFFAOYSA-N
XLogP3.01
TPSA78.07 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.52
LogP ≤ 53.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

[1-(cyclopropylmethyl)-4-(2-phenylpyrimidin-5-yl)pyrrol-2-yl]-(2,6-dimethylmorpholin-4-yl)methanone
CID 134075406
1-(cyclopropylmethyl)-N-methyl-4-[2-(2-methylpyrazol-3-yl)pyrimidin-5-yl]-N-(pyridin-2-ylmethyl)pyrrole-2-carboxamide
CID 97443238
(2,6-dimethylmorpholin-4-yl)-[4-[2-(3-fluorophenyl)pyrimidin-5-yl]-1-methylpyrrol-2-yl]methanone
CID 131660689
[1-(cyclopropylmethyl)-4-(2-pyrrolidin-1-ylpyrimidin-5-yl)pyrrol-2-yl]-[3-(dimethylamino)pyrrolidin-1-yl]methanone
CID 131646369
[(2R,6R)-2,6-dimethylmorpholin-4-yl]-(1-methylpyrazol-4-yl)methanone
CID 35294940
(2,6-dimethylmorpholin-4-yl)-(1-methylpyrazol-4-yl)methanone
CID 45147620
[4-(2,6-dimethylmorpholine-4-carbonyl)phenyl]-(2,6-dimethylmorpholin-4-yl)methanone
CID 618918
(2-amino-4-pyridinyl)-(2,6-dimethylmorpholin-4-yl)methanone
CID 55043295
[4-(cyclopropylmethyl)-1,4-diazepan-1-yl]-(2-methylpyrazol-3-yl)methanone
CID 95750139
[1-(cyclopropylmethyl)-4-(2-morpholin-4-ylpyrimidin-5-yl)pyrrol-2-yl]-(oxazinan-2-yl)methanone
CID 97361746
(4-amino-2-pyridinyl)-(2,6-dimethylmorpholin-4-yl)methanone
CID 62154675
[3-[cyclopropylmethyl(oxan-4-yl)amino]azetidin-1-yl]-(2-methylpyrazol-3-yl)methanone
CID 91920591

Frequently Asked Questions

What is the IUPAC name of [1-(cyclopropylmethyl)-4-[2-(2-methylpyrazol-3-yl)pyrimidin-5-yl]pyrrol-2-yl]-(2,6-dimethylmorpholin-4-yl)methanone?
The IUPAC name of [1-(cyclopropylmethyl)-4-[2-(2-methylpyrazol-3-yl)pyrimidin-5-yl]pyrrol-2-yl]-(2,6-dimethylmorpholin-4-yl)methanone (CID 134078522) is [1-(cyclopropylmethyl)-4-[2-(2-methylpyrazol-3-yl)pyrimidin-5-yl]pyrrol-2-yl]-(2,6-dimethylmorpholin-4-yl)methanone.
What is the SMILES notation for [1-(cyclopropylmethyl)-4-[2-(2-methylpyrazol-3-yl)pyrimidin-5-yl]pyrrol-2-yl]-(2,6-dimethylmorpholin-4-yl)methanone?
The canonical SMILES for [1-(cyclopropylmethyl)-4-[2-(2-methylpyrazol-3-yl)pyrimidin-5-yl]pyrrol-2-yl]-(2,6-dimethylmorpholin-4-yl)methanone is CC1CN(C(=O)c2cc(-c3cnc(-c4ccnn4C)nc3)cn2CC2CC2)CC(C)O1.
What is the InChIKey of [1-(cyclopropylmethyl)-4-[2-(2-methylpyrazol-3-yl)pyrimidin-5-yl]pyrrol-2-yl]-(2,6-dimethylmorpholin-4-yl)methanone?
The InChIKey is INYGXLKUNXQVBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28N6O2/c1-15-11-29(12-16(2)31-15)23(30)21-8-18(14-28(21)13-17-4-5-17)19-9-24-22(25-10-19)20-6-7-26-27(20)3/h6-10,14-17H,4-5,11-13H2,1-3H3.
What are the key properties of [1-(cyclopropylmethyl)-4-[2-(2-methylpyrazol-3-yl)pyrimidin-5-yl]pyrrol-2-yl]-(2,6-dimethylmorpholin-4-yl)methanone?
[1-(cyclopropylmethyl)-4-[2-(2-methylpyrazol-3-yl)pyrimidin-5-yl]pyrrol-2-yl]-(2,6-dimethylmorpholin-4-yl)methanone has a molecular weight of 420.52 g/mol, XLogP of 3.01, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(cyclopropylmethyl)-4-[2-(2-methylpyrazol-3-yl)pyrimidin-5-yl]pyrrol-2-yl]-(2,6-dimethylmorpholin-4-yl)methanone is sourced from PubChem (CID 134078522), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).