[4-(3-methoxyphenyl)pyrazol-1-yl]-[6-methyl-4-[(1-methylcyclopropyl)amino]furo[2,3-d]pyrimidin-5-yl]methanone

C22H21N5O3 — CID 138635936

IUPAC[4-(3-methoxyphenyl)pyrazol-1-yl]-[6-methyl-4-[(1-methylcyclopropyl)amino]furo[2,3-d]pyrimidin-5-yl]methanone
SMILESCOc1cccc(-c2cnn(C(=O)c3c(C)oc4ncnc(NC5(C)CC5)c34)c2)c1
InChIInChI=1S/C22H21N5O3/c1-13-17(18-19(26-22(2)7-8-22)23-12-24-20(18)30-13)21(28)27-11-15(10-25-27)14-5-4-6-16(9-14)29-3/h4-6,9-12H,7-8H2,1-3H3,(H,23,24,26)
InChIKeyUGRKEBULIAIIFJ-UHFFFAOYSA-N
MW403.44 g/mol
LogP4.06
Rot. Bonds5

About [4-(3-methoxyphenyl)pyrazol-1-yl]-[6-methyl-4-[(1-methylcyclopropyl)amino]furo[2,3-d]pyrimidin-5-yl]methanone

[4-(3-methoxyphenyl)pyrazol-1-yl]-[6-methyl-4-[(1-methylcyclopropyl)amino]furo[2,3-d]pyrimidin-5-yl]methanone (PubChem CID 138635936) has the molecular formula C22H21N5O3 and a molecular weight of 403.44 g/mol. Its IUPAC name is [4-(3-methoxyphenyl)pyrazol-1-yl]-[6-methyl-4-[(1-methylcyclopropyl)amino]furo[2,3-d]pyrimidin-5-yl]methanone.

Molecular Properties

Compound Name[4-(3-methoxyphenyl)pyrazol-1-yl]-[6-methyl-4-[(1-methylcyclopropyl)amino]furo[2,3-d]pyrimidin-5-yl]methanone
PubChem CID138635936
Molecular FormulaC22H21N5O3
Molecular Weight403.44 g/mol
Exact Mass403.16
IUPAC Name[4-(3-methoxyphenyl)pyrazol-1-yl]-[6-methyl-4-[(1-methylcyclopropyl)amino]furo[2,3-d]pyrimidin-5-yl]methanone
SMILESCOc1cccc(-c2cnn(C(=O)c3c(C)oc4ncnc(NC5(C)CC5)c34)c2)c1
InChIInChI=1S/C22H21N5O3/c1-13-17(18-19(26-22(2)7-8-22)23-12-24-20(18)30-13)21(28)27-11-15(10-25-27)14-5-4-6-16(9-14)29-3/h4-6,9-12H,7-8H2,1-3H3,(H,23,24,26)
InChIKeyUGRKEBULIAIIFJ-UHFFFAOYSA-N
XLogP4.06
TPSA95.07 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.44
LogP ≤ 54.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of [4-(3-methoxyphenyl)pyrazol-1-yl]-[6-methyl-4-[(1-methylcyclopropyl)amino]furo[2,3-d]pyrimidin-5-yl]methanone?
The IUPAC name of [4-(3-methoxyphenyl)pyrazol-1-yl]-[6-methyl-4-[(1-methylcyclopropyl)amino]furo[2,3-d]pyrimidin-5-yl]methanone (CID 138635936) is [4-(3-methoxyphenyl)pyrazol-1-yl]-[6-methyl-4-[(1-methylcyclopropyl)amino]furo[2,3-d]pyrimidin-5-yl]methanone.
What is the SMILES notation for [4-(3-methoxyphenyl)pyrazol-1-yl]-[6-methyl-4-[(1-methylcyclopropyl)amino]furo[2,3-d]pyrimidin-5-yl]methanone?
The canonical SMILES for [4-(3-methoxyphenyl)pyrazol-1-yl]-[6-methyl-4-[(1-methylcyclopropyl)amino]furo[2,3-d]pyrimidin-5-yl]methanone is COc1cccc(-c2cnn(C(=O)c3c(C)oc4ncnc(NC5(C)CC5)c34)c2)c1.
What is the InChIKey of [4-(3-methoxyphenyl)pyrazol-1-yl]-[6-methyl-4-[(1-methylcyclopropyl)amino]furo[2,3-d]pyrimidin-5-yl]methanone?
The InChIKey is UGRKEBULIAIIFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21N5O3/c1-13-17(18-19(26-22(2)7-8-22)23-12-24-20(18)30-13)21(28)27-11-15(10-25-27)14-5-4-6-16(9-14)29-3/h4-6,9-12H,7-8H2,1-3H3,(H,23,24,26).
What are the key properties of [4-(3-methoxyphenyl)pyrazol-1-yl]-[6-methyl-4-[(1-methylcyclopropyl)amino]furo[2,3-d]pyrimidin-5-yl]methanone?
[4-(3-methoxyphenyl)pyrazol-1-yl]-[6-methyl-4-[(1-methylcyclopropyl)amino]furo[2,3-d]pyrimidin-5-yl]methanone has a molecular weight of 403.44 g/mol, XLogP of 4.06, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(3-methoxyphenyl)pyrazol-1-yl]-[6-methyl-4-[(1-methylcyclopropyl)amino]furo[2,3-d]pyrimidin-5-yl]methanone is sourced from PubChem (CID 138635936), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).