cyclopropyl-[6-[[5-(2-hydroxypropan-2-yl)-2-pyridinyl]amino]-4-[(3-methyl-2-pyridinyl)amino]-3-pyridinyl]methanone

C23H25N5O2 — CID 155639598

IUPACcyclopropyl-[6-[[5-(2-hydroxypropan-2-yl)-2-pyridinyl]amino]-4-[(3-methyl-2-pyridinyl)amino]-3-pyridinyl]methanone
SMILESCc1cccnc1Nc1cc(Nc2ccc(C(C)(C)O)cn2)ncc1C(=O)C1CC1
InChIInChI=1S/C23H25N5O2/c1-14-5-4-10-24-22(14)27-18-11-20(26-13-17(18)21(29)15-6-7-15)28-19-9-8-16(12-25-19)23(2,3)30/h4-5,8-13,15,30H,6-7H2,1-3H3,(H2,24,25,26,27,28)
InChIKeyURLAMDNSZOLCSM-UHFFFAOYSA-N
MW403.49 g/mol
LogP4.49
Rot. Bonds7

About cyclopropyl-[6-[[5-(2-hydroxypropan-2-yl)-2-pyridinyl]amino]-4-[(3-methyl-2-pyridinyl)amino]-3-pyridinyl]methanone

cyclopropyl-[6-[[5-(2-hydroxypropan-2-yl)-2-pyridinyl]amino]-4-[(3-methyl-2-pyridinyl)amino]-3-pyridinyl]methanone (PubChem CID 155639598) has the molecular formula C23H25N5O2 and a molecular weight of 403.49 g/mol. Its IUPAC name is cyclopropyl-[6-[[5-(2-hydroxypropan-2-yl)-2-pyridinyl]amino]-4-[(3-methyl-2-pyridinyl)amino]-3-pyridinyl]methanone.

Molecular Properties

Compound Namecyclopropyl-[6-[[5-(2-hydroxypropan-2-yl)-2-pyridinyl]amino]-4-[(3-methyl-2-pyridinyl)amino]-3-pyridinyl]methanone
PubChem CID155639598
Molecular FormulaC23H25N5O2
Molecular Weight403.49 g/mol
Exact Mass403.20
IUPAC Namecyclopropyl-[6-[[5-(2-hydroxypropan-2-yl)-2-pyridinyl]amino]-4-[(3-methyl-2-pyridinyl)amino]-3-pyridinyl]methanone
SMILESCc1cccnc1Nc1cc(Nc2ccc(C(C)(C)O)cn2)ncc1C(=O)C1CC1
InChIInChI=1S/C23H25N5O2/c1-14-5-4-10-24-22(14)27-18-11-20(26-13-17(18)21(29)15-6-7-15)28-19-9-8-16(12-25-19)23(2,3)30/h4-5,8-13,15,30H,6-7H2,1-3H3,(H2,24,25,26,27,28)
InChIKeyURLAMDNSZOLCSM-UHFFFAOYSA-N
XLogP4.49
TPSA100.03 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.49
LogP ≤ 54.49
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Analyze cyclopropyl-[6-[[5-(2-hydroxypropan-2-yl)-2-pyridinyl]amino]-4-[(3-methyl-2-pyridinyl)amino]-3-pyridinyl]methanone with MolForge

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Frequently Asked Questions

What is the IUPAC name of cyclopropyl-[6-[[5-(2-hydroxypropan-2-yl)-2-pyridinyl]amino]-4-[(3-methyl-2-pyridinyl)amino]-3-pyridinyl]methanone?
The IUPAC name of cyclopropyl-[6-[[5-(2-hydroxypropan-2-yl)-2-pyridinyl]amino]-4-[(3-methyl-2-pyridinyl)amino]-3-pyridinyl]methanone (CID 155639598) is cyclopropyl-[6-[[5-(2-hydroxypropan-2-yl)-2-pyridinyl]amino]-4-[(3-methyl-2-pyridinyl)amino]-3-pyridinyl]methanone.
What is the SMILES notation for cyclopropyl-[6-[[5-(2-hydroxypropan-2-yl)-2-pyridinyl]amino]-4-[(3-methyl-2-pyridinyl)amino]-3-pyridinyl]methanone?
The canonical SMILES for cyclopropyl-[6-[[5-(2-hydroxypropan-2-yl)-2-pyridinyl]amino]-4-[(3-methyl-2-pyridinyl)amino]-3-pyridinyl]methanone is Cc1cccnc1Nc1cc(Nc2ccc(C(C)(C)O)cn2)ncc1C(=O)C1CC1.
What is the InChIKey of cyclopropyl-[6-[[5-(2-hydroxypropan-2-yl)-2-pyridinyl]amino]-4-[(3-methyl-2-pyridinyl)amino]-3-pyridinyl]methanone?
The InChIKey is URLAMDNSZOLCSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25N5O2/c1-14-5-4-10-24-22(14)27-18-11-20(26-13-17(18)21(29)15-6-7-15)28-19-9-8-16(12-25-19)23(2,3)30/h4-5,8-13,15,30H,6-7H2,1-3H3,(H2,24,25,26,27,28).
What are the key properties of cyclopropyl-[6-[[5-(2-hydroxypropan-2-yl)-2-pyridinyl]amino]-4-[(3-methyl-2-pyridinyl)amino]-3-pyridinyl]methanone?
cyclopropyl-[6-[[5-(2-hydroxypropan-2-yl)-2-pyridinyl]amino]-4-[(3-methyl-2-pyridinyl)amino]-3-pyridinyl]methanone has a molecular weight of 403.49 g/mol, XLogP of 4.49, 7 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for cyclopropyl-[6-[[5-(2-hydroxypropan-2-yl)-2-pyridinyl]amino]-4-[(3-methyl-2-pyridinyl)amino]-3-pyridinyl]methanone is sourced from PubChem (CID 155639598), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).