4-(1-methylpyrazolo[5,4-d]pyrimidin-4-yl)-N-(4-phenoxyphenyl)piperazine-1-carboxamide

C23H23N7O2 — CID 11212551

IUPAC4-(1-methylpyrazolo[5,4-d]pyrimidin-4-yl)-N-(4-phenoxyphenyl)piperazine-1-carboxamide
SMILESCn1ncc2c(N3CCN(C(=O)Nc4ccc(Oc5ccccc5)cc4)CC3)ncnc21
InChIInChI=1S/C23H23N7O2/c1-28-21-20(15-26-28)22(25-16-24-21)29-11-13-30(14-12-29)23(31)27-17-7-9-19(10-8-17)32-18-5-3-2-4-6-18/h2-10,15-16H,11-14H2,1H3,(H,27,31)
InChIKeyYMPLJTQXVDRIBX-UHFFFAOYSA-N
MW429.48 g/mol
LogP3.51
Rot. Bonds4

About 4-(1-methylpyrazolo[5,4-d]pyrimidin-4-yl)-N-(4-phenoxyphenyl)piperazine-1-carboxamide

4-(1-methylpyrazolo[5,4-d]pyrimidin-4-yl)-N-(4-phenoxyphenyl)piperazine-1-carboxamide (PubChem CID 11212551) has the molecular formula C23H23N7O2 and a molecular weight of 429.48 g/mol. Its IUPAC name is 4-(1-methylpyrazolo[5,4-d]pyrimidin-4-yl)-N-(4-phenoxyphenyl)piperazine-1-carboxamide.

Molecular Properties

Compound Name4-(1-methylpyrazolo[5,4-d]pyrimidin-4-yl)-N-(4-phenoxyphenyl)piperazine-1-carboxamide
PubChem CID11212551
Molecular FormulaC23H23N7O2
Molecular Weight429.48 g/mol
Exact Mass429.19
IUPAC Name4-(1-methylpyrazolo[5,4-d]pyrimidin-4-yl)-N-(4-phenoxyphenyl)piperazine-1-carboxamide
SMILESCn1ncc2c(N3CCN(C(=O)Nc4ccc(Oc5ccccc5)cc4)CC3)ncnc21
InChIInChI=1S/C23H23N7O2/c1-28-21-20(15-26-28)22(25-16-24-21)29-11-13-30(14-12-29)23(31)27-17-7-9-19(10-8-17)32-18-5-3-2-4-6-18/h2-10,15-16H,11-14H2,1H3,(H,27,31)
InChIKeyYMPLJTQXVDRIBX-UHFFFAOYSA-N
XLogP3.51
TPSA88.41 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500429.48
LogP ≤ 53.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 4-(1-methylpyrazolo[5,4-d]pyrimidin-4-yl)-N-(4-phenoxyphenyl)piperazine-1-carboxamide?
The IUPAC name of 4-(1-methylpyrazolo[5,4-d]pyrimidin-4-yl)-N-(4-phenoxyphenyl)piperazine-1-carboxamide (CID 11212551) is 4-(1-methylpyrazolo[5,4-d]pyrimidin-4-yl)-N-(4-phenoxyphenyl)piperazine-1-carboxamide.
What is the SMILES notation for 4-(1-methylpyrazolo[5,4-d]pyrimidin-4-yl)-N-(4-phenoxyphenyl)piperazine-1-carboxamide?
The canonical SMILES for 4-(1-methylpyrazolo[5,4-d]pyrimidin-4-yl)-N-(4-phenoxyphenyl)piperazine-1-carboxamide is Cn1ncc2c(N3CCN(C(=O)Nc4ccc(Oc5ccccc5)cc4)CC3)ncnc21.
What is the InChIKey of 4-(1-methylpyrazolo[5,4-d]pyrimidin-4-yl)-N-(4-phenoxyphenyl)piperazine-1-carboxamide?
The InChIKey is YMPLJTQXVDRIBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23N7O2/c1-28-21-20(15-26-28)22(25-16-24-21)29-11-13-30(14-12-29)23(31)27-17-7-9-19(10-8-17)32-18-5-3-2-4-6-18/h2-10,15-16H,11-14H2,1H3,(H,27,31).
What are the key properties of 4-(1-methylpyrazolo[5,4-d]pyrimidin-4-yl)-N-(4-phenoxyphenyl)piperazine-1-carboxamide?
4-(1-methylpyrazolo[5,4-d]pyrimidin-4-yl)-N-(4-phenoxyphenyl)piperazine-1-carboxamide has a molecular weight of 429.48 g/mol, XLogP of 3.51, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1-methylpyrazolo[5,4-d]pyrimidin-4-yl)-N-(4-phenoxyphenyl)piperazine-1-carboxamide is sourced from PubChem (CID 11212551), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).