4-ethyl-1-[6-[[4-(3-propan-2-ylpyrazolo[1,5-a]pyridin-5-yl)pyrimidin-2-yl]methyl]-3-pyridinyl]piperazin-2-one

C26H29N7O — CID 167580077

IUPAC4-ethyl-1-[6-[[4-(3-propan-2-ylpyrazolo[1,5-a]pyridin-5-yl)pyrimidin-2-yl]methyl]-3-pyridinyl]piperazin-2-one
SMILESCCN1CCN(c2ccc(Cc3nccc(-c4ccn5ncc(C(C)C)c5c4)n3)nc2)C(=O)C1
InChIInChI=1S/C26H29N7O/c1-4-31-11-12-32(26(34)17-31)21-6-5-20(28-15-21)14-25-27-9-7-23(30-25)19-8-10-33-24(13-19)22(16-29-33)18(2)3/h5-10,13,15-16,18H,4,11-12,14,17H2,1-3H3
InChIKeyHBKLAVWZGDIIFD-UHFFFAOYSA-N
MW455.57 g/mol
LogP3.57
Rot. Bonds6

About 4-ethyl-1-[6-[[4-(3-propan-2-ylpyrazolo[1,5-a]pyridin-5-yl)pyrimidin-2-yl]methyl]-3-pyridinyl]piperazin-2-one

4-ethyl-1-[6-[[4-(3-propan-2-ylpyrazolo[1,5-a]pyridin-5-yl)pyrimidin-2-yl]methyl]-3-pyridinyl]piperazin-2-one (PubChem CID 167580077) has the molecular formula C26H29N7O and a molecular weight of 455.57 g/mol. Its IUPAC name is 4-ethyl-1-[6-[[4-(3-propan-2-ylpyrazolo[1,5-a]pyridin-5-yl)pyrimidin-2-yl]methyl]-3-pyridinyl]piperazin-2-one.

Molecular Properties

Compound Name4-ethyl-1-[6-[[4-(3-propan-2-ylpyrazolo[1,5-a]pyridin-5-yl)pyrimidin-2-yl]methyl]-3-pyridinyl]piperazin-2-one
PubChem CID167580077
Molecular FormulaC26H29N7O
Molecular Weight455.57 g/mol
Exact Mass455.24
IUPAC Name4-ethyl-1-[6-[[4-(3-propan-2-ylpyrazolo[1,5-a]pyridin-5-yl)pyrimidin-2-yl]methyl]-3-pyridinyl]piperazin-2-one
SMILESCCN1CCN(c2ccc(Cc3nccc(-c4ccn5ncc(C(C)C)c5c4)n3)nc2)C(=O)C1
InChIInChI=1S/C26H29N7O/c1-4-31-11-12-32(26(34)17-31)21-6-5-20(28-15-21)14-25-27-9-7-23(30-25)19-8-10-33-24(13-19)22(16-29-33)18(2)3/h5-10,13,15-16,18H,4,11-12,14,17H2,1-3H3
InChIKeyHBKLAVWZGDIIFD-UHFFFAOYSA-N
XLogP3.57
TPSA79.52 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500455.57
LogP ≤ 53.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 4-ethyl-1-[6-[[4-(3-propan-2-ylpyrazolo[1,5-a]pyridin-5-yl)pyrimidin-2-yl]methyl]-3-pyridinyl]piperazin-2-one?
The IUPAC name of 4-ethyl-1-[6-[[4-(3-propan-2-ylpyrazolo[1,5-a]pyridin-5-yl)pyrimidin-2-yl]methyl]-3-pyridinyl]piperazin-2-one (CID 167580077) is 4-ethyl-1-[6-[[4-(3-propan-2-ylpyrazolo[1,5-a]pyridin-5-yl)pyrimidin-2-yl]methyl]-3-pyridinyl]piperazin-2-one.
What is the SMILES notation for 4-ethyl-1-[6-[[4-(3-propan-2-ylpyrazolo[1,5-a]pyridin-5-yl)pyrimidin-2-yl]methyl]-3-pyridinyl]piperazin-2-one?
The canonical SMILES for 4-ethyl-1-[6-[[4-(3-propan-2-ylpyrazolo[1,5-a]pyridin-5-yl)pyrimidin-2-yl]methyl]-3-pyridinyl]piperazin-2-one is CCN1CCN(c2ccc(Cc3nccc(-c4ccn5ncc(C(C)C)c5c4)n3)nc2)C(=O)C1.
What is the InChIKey of 4-ethyl-1-[6-[[4-(3-propan-2-ylpyrazolo[1,5-a]pyridin-5-yl)pyrimidin-2-yl]methyl]-3-pyridinyl]piperazin-2-one?
The InChIKey is HBKLAVWZGDIIFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H29N7O/c1-4-31-11-12-32(26(34)17-31)21-6-5-20(28-15-21)14-25-27-9-7-23(30-25)19-8-10-33-24(13-19)22(16-29-33)18(2)3/h5-10,13,15-16,18H,4,11-12,14,17H2,1-3H3.
What are the key properties of 4-ethyl-1-[6-[[4-(3-propan-2-ylpyrazolo[1,5-a]pyridin-5-yl)pyrimidin-2-yl]methyl]-3-pyridinyl]piperazin-2-one?
4-ethyl-1-[6-[[4-(3-propan-2-ylpyrazolo[1,5-a]pyridin-5-yl)pyrimidin-2-yl]methyl]-3-pyridinyl]piperazin-2-one has a molecular weight of 455.57 g/mol, XLogP of 3.57, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-1-[6-[[4-(3-propan-2-ylpyrazolo[1,5-a]pyridin-5-yl)pyrimidin-2-yl]methyl]-3-pyridinyl]piperazin-2-one is sourced from PubChem (CID 167580077), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).