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

C23H30N6O2 — CID 138635633

IUPAC[6-methyl-4-[(1-methylcyclopropyl)amino]furo[2,3-d]pyrimidin-5-yl]-[4-(1-propan-2-ylpyrazol-3-yl)piperidin-1-yl]methanone
SMILESCc1oc2ncnc(NC3(C)CC3)c2c1C(=O)N1CCC(c2ccn(C(C)C)n2)CC1
InChIInChI=1S/C23H30N6O2/c1-14(2)29-12-7-17(27-29)16-5-10-28(11-6-16)22(30)18-15(3)31-21-19(18)20(24-13-25-21)26-23(4)8-9-23/h7,12-14,16H,5-6,8-11H2,1-4H3,(H,24,25,26)
InChIKeyADICCJNLDKTUFM-UHFFFAOYSA-N
MW422.53 g/mol
LogP4.29
Rot. Bonds5

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

[6-methyl-4-[(1-methylcyclopropyl)amino]furo[2,3-d]pyrimidin-5-yl]-[4-(1-propan-2-ylpyrazol-3-yl)piperidin-1-yl]methanone (PubChem CID 138635633) has the molecular formula C23H30N6O2 and a molecular weight of 422.53 g/mol. Its IUPAC name is [6-methyl-4-[(1-methylcyclopropyl)amino]furo[2,3-d]pyrimidin-5-yl]-[4-(1-propan-2-ylpyrazol-3-yl)piperidin-1-yl]methanone.

Molecular Properties

Compound Name[6-methyl-4-[(1-methylcyclopropyl)amino]furo[2,3-d]pyrimidin-5-yl]-[4-(1-propan-2-ylpyrazol-3-yl)piperidin-1-yl]methanone
PubChem CID138635633
Molecular FormulaC23H30N6O2
Molecular Weight422.53 g/mol
Exact Mass422.24
IUPAC Name[6-methyl-4-[(1-methylcyclopropyl)amino]furo[2,3-d]pyrimidin-5-yl]-[4-(1-propan-2-ylpyrazol-3-yl)piperidin-1-yl]methanone
SMILESCc1oc2ncnc(NC3(C)CC3)c2c1C(=O)N1CCC(c2ccn(C(C)C)n2)CC1
InChIInChI=1S/C23H30N6O2/c1-14(2)29-12-7-17(27-29)16-5-10-28(11-6-16)22(30)18-15(3)31-21-19(18)20(24-13-25-21)26-23(4)8-9-23/h7,12-14,16H,5-6,8-11H2,1-4H3,(H,24,25,26)
InChIKeyADICCJNLDKTUFM-UHFFFAOYSA-N
XLogP4.29
TPSA89.08 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.53
LogP ≤ 54.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze [6-methyl-4-[(1-methylcyclopropyl)amino]furo[2,3-d]pyrimidin-5-yl]-[4-(1-propan-2-ylpyrazol-3-yl)piperidin-1-yl]methanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[6-methyl-4-[(1-methylcyclopropyl)amino]furo[2,3-d]pyrimidin-5-yl]-[4-(1H-1,2,4-triazol-5-yl)piperidin-1-yl]methanone
CID 138665661
[3-(4-iodophenyl)pyrrolidin-1-yl]-[6-methyl-4-[(1-methylcyclopropyl)amino]furo[2,3-d]pyrimidin-5-yl]methanone
CID 138666214
[4-[5-(fluoromethoxy)pyrimidin-2-yl]piperidin-1-yl]-[6-methyl-4-[(1-methylcyclopropyl)amino]furo[2,3-d]pyrimidin-5-yl]methanone
CID 138635250
2,5-dihydropyrrol-1-yl-[6-methyl-4-[(1-methylcyclopropyl)amino]furo[2,3-d]pyrimidin-5-yl]methanone
CID 167697060
[3-[4-(fluoromethoxy)phenyl]pyrrolidin-1-yl]-[6-methyl-4-[(1-methylcyclopropyl)amino]furo[2,3-d]pyrimidin-5-yl]methanone
CID 138635405
[6-methyl-4-[(1-methylcyclopropyl)amino]furo[2,3-d]pyrimidin-5-yl]-[3-(5-methyl-3-pyridinyl)pyrrolidin-1-yl]methanone
CID 170208513
[(3aS,6aS)-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]pyrrol-4-yl]-[6-methyl-4-[(1-methylcyclopropyl)amino]furo[2,3-d]pyrimidin-5-yl]methanone
CID 138635656
[4-(2-fluorophenoxy)piperidin-1-yl]-[6-methyl-4-[(1-methylcyclopropyl)amino]furo[2,3-d]pyrimidin-5-yl]methanone
CID 138635379
[6-methyl-4-[(1-methylcyclopropyl)amino]furo[2,3-d]pyrimidin-5-yl]-(4-pyrimidin-2-ylpiperazin-1-yl)methanone
CID 164938832
[4-(2-methoxyethyl)piperazin-1-yl]-[6-methyl-4-[(1-methylcyclopropyl)amino]furo[2,3-d]pyrimidin-5-yl]methanone
CID 138635945
[4-[[1-(iodomethyl)cyclopropyl]amino]-6-methylfuro[2,3-d]pyrimidin-5-yl]-[4-(1-methyltriazol-4-yl)piperidin-1-yl]methanone
CID 174239244
(3-fluoro-3-phenylazetidin-1-yl)-[6-methyl-4-[(1-methylcyclopropyl)amino]furo[2,3-d]pyrimidin-5-yl]methanone
CID 138636016

Frequently Asked Questions

What is the IUPAC name of [6-methyl-4-[(1-methylcyclopropyl)amino]furo[2,3-d]pyrimidin-5-yl]-[4-(1-propan-2-ylpyrazol-3-yl)piperidin-1-yl]methanone?
The IUPAC name of [6-methyl-4-[(1-methylcyclopropyl)amino]furo[2,3-d]pyrimidin-5-yl]-[4-(1-propan-2-ylpyrazol-3-yl)piperidin-1-yl]methanone (CID 138635633) is [6-methyl-4-[(1-methylcyclopropyl)amino]furo[2,3-d]pyrimidin-5-yl]-[4-(1-propan-2-ylpyrazol-3-yl)piperidin-1-yl]methanone.
What is the SMILES notation for [6-methyl-4-[(1-methylcyclopropyl)amino]furo[2,3-d]pyrimidin-5-yl]-[4-(1-propan-2-ylpyrazol-3-yl)piperidin-1-yl]methanone?
The canonical SMILES for [6-methyl-4-[(1-methylcyclopropyl)amino]furo[2,3-d]pyrimidin-5-yl]-[4-(1-propan-2-ylpyrazol-3-yl)piperidin-1-yl]methanone is Cc1oc2ncnc(NC3(C)CC3)c2c1C(=O)N1CCC(c2ccn(C(C)C)n2)CC1.
What is the InChIKey of [6-methyl-4-[(1-methylcyclopropyl)amino]furo[2,3-d]pyrimidin-5-yl]-[4-(1-propan-2-ylpyrazol-3-yl)piperidin-1-yl]methanone?
The InChIKey is ADICCJNLDKTUFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H30N6O2/c1-14(2)29-12-7-17(27-29)16-5-10-28(11-6-16)22(30)18-15(3)31-21-19(18)20(24-13-25-21)26-23(4)8-9-23/h7,12-14,16H,5-6,8-11H2,1-4H3,(H,24,25,26).
What are the key properties of [6-methyl-4-[(1-methylcyclopropyl)amino]furo[2,3-d]pyrimidin-5-yl]-[4-(1-propan-2-ylpyrazol-3-yl)piperidin-1-yl]methanone?
[6-methyl-4-[(1-methylcyclopropyl)amino]furo[2,3-d]pyrimidin-5-yl]-[4-(1-propan-2-ylpyrazol-3-yl)piperidin-1-yl]methanone has a molecular weight of 422.53 g/mol, XLogP of 4.29, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [6-methyl-4-[(1-methylcyclopropyl)amino]furo[2,3-d]pyrimidin-5-yl]-[4-(1-propan-2-ylpyrazol-3-yl)piperidin-1-yl]methanone is sourced from PubChem (CID 138635633), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).