[2-methyl-4-[[1-(4,5,6,7-tetrahydro-1H-indazole-3-carbonyl)piperidin-4-yl]methyl]pyrimidin-5-yl]-pyrrolidin-1-ylmethanone

C24H32N6O2 — CID 92637708

IUPAC[2-methyl-4-[[1-(4,5,6,7-tetrahydro-1H-indazole-3-carbonyl)piperidin-4-yl]methyl]pyrimidin-5-yl]-pyrrolidin-1-ylmethanone
SMILESCc1ncc(C(=O)N2CCCC2)c(CC2CCN(C(=O)c3n[nH]c4c3CCCC4)CC2)n1
InChIInChI=1S/C24H32N6O2/c1-16-25-15-19(23(31)29-10-4-5-11-29)21(26-16)14-17-8-12-30(13-9-17)24(32)22-18-6-2-3-7-20(18)27-28-22/h15,17H,2-14H2,1H3,(H,27,28)
InChIKeyADGJQDQZXNAZEF-UHFFFAOYSA-N
MW436.56 g/mol
LogP2.72
Rot. Bonds4

About [2-methyl-4-[[1-(4,5,6,7-tetrahydro-1H-indazole-3-carbonyl)piperidin-4-yl]methyl]pyrimidin-5-yl]-pyrrolidin-1-ylmethanone

[2-methyl-4-[[1-(4,5,6,7-tetrahydro-1H-indazole-3-carbonyl)piperidin-4-yl]methyl]pyrimidin-5-yl]-pyrrolidin-1-ylmethanone (PubChem CID 92637708) has the molecular formula C24H32N6O2 and a molecular weight of 436.56 g/mol. Its IUPAC name is [2-methyl-4-[[1-(4,5,6,7-tetrahydro-1H-indazole-3-carbonyl)piperidin-4-yl]methyl]pyrimidin-5-yl]-pyrrolidin-1-ylmethanone.

Molecular Properties

Compound Name[2-methyl-4-[[1-(4,5,6,7-tetrahydro-1H-indazole-3-carbonyl)piperidin-4-yl]methyl]pyrimidin-5-yl]-pyrrolidin-1-ylmethanone
PubChem CID92637708
Molecular FormulaC24H32N6O2
Molecular Weight436.56 g/mol
Exact Mass436.26
IUPAC Name[2-methyl-4-[[1-(4,5,6,7-tetrahydro-1H-indazole-3-carbonyl)piperidin-4-yl]methyl]pyrimidin-5-yl]-pyrrolidin-1-ylmethanone
SMILESCc1ncc(C(=O)N2CCCC2)c(CC2CCN(C(=O)c3n[nH]c4c3CCCC4)CC2)n1
InChIInChI=1S/C24H32N6O2/c1-16-25-15-19(23(31)29-10-4-5-11-29)21(26-16)14-17-8-12-30(13-9-17)24(32)22-18-6-2-3-7-20(18)27-28-22/h15,17H,2-14H2,1H3,(H,27,28)
InChIKeyADGJQDQZXNAZEF-UHFFFAOYSA-N
XLogP2.72
TPSA95.08 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500436.56
LogP ≤ 52.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [2-methyl-4-[[1-(4,5,6,7-tetrahydro-1H-indazole-3-carbonyl)piperidin-4-yl]methyl]pyrimidin-5-yl]-pyrrolidin-1-ylmethanone?
The IUPAC name of [2-methyl-4-[[1-(4,5,6,7-tetrahydro-1H-indazole-3-carbonyl)piperidin-4-yl]methyl]pyrimidin-5-yl]-pyrrolidin-1-ylmethanone (CID 92637708) is [2-methyl-4-[[1-(4,5,6,7-tetrahydro-1H-indazole-3-carbonyl)piperidin-4-yl]methyl]pyrimidin-5-yl]-pyrrolidin-1-ylmethanone.
What is the SMILES notation for [2-methyl-4-[[1-(4,5,6,7-tetrahydro-1H-indazole-3-carbonyl)piperidin-4-yl]methyl]pyrimidin-5-yl]-pyrrolidin-1-ylmethanone?
The canonical SMILES for [2-methyl-4-[[1-(4,5,6,7-tetrahydro-1H-indazole-3-carbonyl)piperidin-4-yl]methyl]pyrimidin-5-yl]-pyrrolidin-1-ylmethanone is Cc1ncc(C(=O)N2CCCC2)c(CC2CCN(C(=O)c3n[nH]c4c3CCCC4)CC2)n1.
What is the InChIKey of [2-methyl-4-[[1-(4,5,6,7-tetrahydro-1H-indazole-3-carbonyl)piperidin-4-yl]methyl]pyrimidin-5-yl]-pyrrolidin-1-ylmethanone?
The InChIKey is ADGJQDQZXNAZEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H32N6O2/c1-16-25-15-19(23(31)29-10-4-5-11-29)21(26-16)14-17-8-12-30(13-9-17)24(32)22-18-6-2-3-7-20(18)27-28-22/h15,17H,2-14H2,1H3,(H,27,28).
What are the key properties of [2-methyl-4-[[1-(4,5,6,7-tetrahydro-1H-indazole-3-carbonyl)piperidin-4-yl]methyl]pyrimidin-5-yl]-pyrrolidin-1-ylmethanone?
[2-methyl-4-[[1-(4,5,6,7-tetrahydro-1H-indazole-3-carbonyl)piperidin-4-yl]methyl]pyrimidin-5-yl]-pyrrolidin-1-ylmethanone has a molecular weight of 436.56 g/mol, XLogP of 2.72, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-methyl-4-[[1-(4,5,6,7-tetrahydro-1H-indazole-3-carbonyl)piperidin-4-yl]methyl]pyrimidin-5-yl]-pyrrolidin-1-ylmethanone is sourced from PubChem (CID 92637708), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).