1-[1-(4-chlorophenyl)-4-morpholin-4-ylpyrazolo[5,4-d]pyrimidin-6-yl]piperidine-4-carboxamide

C21H24ClN7O2 — CID 45497507

IUPAC1-[1-(4-chlorophenyl)-4-morpholin-4-ylpyrazolo[5,4-d]pyrimidin-6-yl]piperidine-4-carboxamide
SMILESNC(=O)C1CCN(c2nc(N3CCOCC3)c3cnn(-c4ccc(Cl)cc4)c3n2)CC1
InChIInChI=1S/C21H24ClN7O2/c22-15-1-3-16(4-2-15)29-20-17(13-24-29)19(27-9-11-31-12-10-27)25-21(26-20)28-7-5-14(6-8-28)18(23)30/h1-4,13-14H,5-12H2,(H2,23,30)
InChIKeySQRQAYDAIJVEEF-UHFFFAOYSA-N
MW441.92 g/mol
LogP2.01
Rot. Bonds4

About 1-[1-(4-chlorophenyl)-4-morpholin-4-ylpyrazolo[5,4-d]pyrimidin-6-yl]piperidine-4-carboxamide

1-[1-(4-chlorophenyl)-4-morpholin-4-ylpyrazolo[5,4-d]pyrimidin-6-yl]piperidine-4-carboxamide (PubChem CID 45497507) has the molecular formula C21H24ClN7O2 and a molecular weight of 441.92 g/mol. Its IUPAC name is 1-[1-(4-chlorophenyl)-4-morpholin-4-ylpyrazolo[5,4-d]pyrimidin-6-yl]piperidine-4-carboxamide.

Molecular Properties

Compound Name1-[1-(4-chlorophenyl)-4-morpholin-4-ylpyrazolo[5,4-d]pyrimidin-6-yl]piperidine-4-carboxamide
PubChem CID45497507
Molecular FormulaC21H24ClN7O2
Molecular Weight441.92 g/mol
Exact Mass441.17
IUPAC Name1-[1-(4-chlorophenyl)-4-morpholin-4-ylpyrazolo[5,4-d]pyrimidin-6-yl]piperidine-4-carboxamide
SMILESNC(=O)C1CCN(c2nc(N3CCOCC3)c3cnn(-c4ccc(Cl)cc4)c3n2)CC1
InChIInChI=1S/C21H24ClN7O2/c22-15-1-3-16(4-2-15)29-20-17(13-24-29)19(27-9-11-31-12-10-27)25-21(26-20)28-7-5-14(6-8-28)18(23)30/h1-4,13-14H,5-12H2,(H2,23,30)
InChIKeySQRQAYDAIJVEEF-UHFFFAOYSA-N
XLogP2.01
TPSA102.40 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500441.92
LogP ≤ 52.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 1-[1-(4-chlorophenyl)-4-morpholin-4-ylpyrazolo[5,4-d]pyrimidin-6-yl]piperidine-4-carboxamide?
The IUPAC name of 1-[1-(4-chlorophenyl)-4-morpholin-4-ylpyrazolo[5,4-d]pyrimidin-6-yl]piperidine-4-carboxamide (CID 45497507) is 1-[1-(4-chlorophenyl)-4-morpholin-4-ylpyrazolo[5,4-d]pyrimidin-6-yl]piperidine-4-carboxamide.
What is the SMILES notation for 1-[1-(4-chlorophenyl)-4-morpholin-4-ylpyrazolo[5,4-d]pyrimidin-6-yl]piperidine-4-carboxamide?
The canonical SMILES for 1-[1-(4-chlorophenyl)-4-morpholin-4-ylpyrazolo[5,4-d]pyrimidin-6-yl]piperidine-4-carboxamide is NC(=O)C1CCN(c2nc(N3CCOCC3)c3cnn(-c4ccc(Cl)cc4)c3n2)CC1.
What is the InChIKey of 1-[1-(4-chlorophenyl)-4-morpholin-4-ylpyrazolo[5,4-d]pyrimidin-6-yl]piperidine-4-carboxamide?
The InChIKey is SQRQAYDAIJVEEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24ClN7O2/c22-15-1-3-16(4-2-15)29-20-17(13-24-29)19(27-9-11-31-12-10-27)25-21(26-20)28-7-5-14(6-8-28)18(23)30/h1-4,13-14H,5-12H2,(H2,23,30).
What are the key properties of 1-[1-(4-chlorophenyl)-4-morpholin-4-ylpyrazolo[5,4-d]pyrimidin-6-yl]piperidine-4-carboxamide?
1-[1-(4-chlorophenyl)-4-morpholin-4-ylpyrazolo[5,4-d]pyrimidin-6-yl]piperidine-4-carboxamide has a molecular weight of 441.92 g/mol, XLogP of 2.01, 4 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(4-chlorophenyl)-4-morpholin-4-ylpyrazolo[5,4-d]pyrimidin-6-yl]piperidine-4-carboxamide is sourced from PubChem (CID 45497507), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).