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

C26H29N7O — CID 167641489

IUPAC4-(dimethylamino)-1-[6-[[4-(3-propan-2-ylpyrazolo[1,5-a]pyridin-5-yl)pyrimidin-2-yl]methyl]-3-pyridinyl]pyrrolidin-2-one
SMILESCC(C)c1cnn2ccc(-c3ccnc(Cc4ccc(N5CC(N(C)C)CC5=O)cn4)n3)cc12
InChIInChI=1S/C26H29N7O/c1-17(2)22-15-29-33-10-8-18(11-24(22)33)23-7-9-27-25(30-23)12-19-5-6-20(14-28-19)32-16-21(31(3)4)13-26(32)34/h5-11,14-15,17,21H,12-13,16H2,1-4H3
InChIKeyFPWVPUAINMENKE-UHFFFAOYSA-N
MW455.57 g/mol
LogP3.57
Rot. Bonds6

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

4-(dimethylamino)-1-[6-[[4-(3-propan-2-ylpyrazolo[1,5-a]pyridin-5-yl)pyrimidin-2-yl]methyl]-3-pyridinyl]pyrrolidin-2-one (PubChem CID 167641489) has the molecular formula C26H29N7O and a molecular weight of 455.57 g/mol. Its IUPAC name is 4-(dimethylamino)-1-[6-[[4-(3-propan-2-ylpyrazolo[1,5-a]pyridin-5-yl)pyrimidin-2-yl]methyl]-3-pyridinyl]pyrrolidin-2-one.

Molecular Properties

Compound Name4-(dimethylamino)-1-[6-[[4-(3-propan-2-ylpyrazolo[1,5-a]pyridin-5-yl)pyrimidin-2-yl]methyl]-3-pyridinyl]pyrrolidin-2-one
PubChem CID167641489
Molecular FormulaC26H29N7O
Molecular Weight455.57 g/mol
Exact Mass455.24
IUPAC Name4-(dimethylamino)-1-[6-[[4-(3-propan-2-ylpyrazolo[1,5-a]pyridin-5-yl)pyrimidin-2-yl]methyl]-3-pyridinyl]pyrrolidin-2-one
SMILESCC(C)c1cnn2ccc(-c3ccnc(Cc4ccc(N5CC(N(C)C)CC5=O)cn4)n3)cc12
InChIInChI=1S/C26H29N7O/c1-17(2)22-15-29-33-10-8-18(11-24(22)33)23-7-9-27-25(30-23)12-19-5-6-20(14-28-19)32-16-21(31(3)4)13-26(32)34/h5-11,14-15,17,21H,12-13,16H2,1-4H3
InChIKeyFPWVPUAINMENKE-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-(dimethylamino)-1-[6-[[4-(3-propan-2-ylpyrazolo[1,5-a]pyridin-5-yl)pyrimidin-2-yl]methyl]-3-pyridinyl]pyrrolidin-2-one?
The IUPAC name of 4-(dimethylamino)-1-[6-[[4-(3-propan-2-ylpyrazolo[1,5-a]pyridin-5-yl)pyrimidin-2-yl]methyl]-3-pyridinyl]pyrrolidin-2-one (CID 167641489) is 4-(dimethylamino)-1-[6-[[4-(3-propan-2-ylpyrazolo[1,5-a]pyridin-5-yl)pyrimidin-2-yl]methyl]-3-pyridinyl]pyrrolidin-2-one.
What is the SMILES notation for 4-(dimethylamino)-1-[6-[[4-(3-propan-2-ylpyrazolo[1,5-a]pyridin-5-yl)pyrimidin-2-yl]methyl]-3-pyridinyl]pyrrolidin-2-one?
The canonical SMILES for 4-(dimethylamino)-1-[6-[[4-(3-propan-2-ylpyrazolo[1,5-a]pyridin-5-yl)pyrimidin-2-yl]methyl]-3-pyridinyl]pyrrolidin-2-one is CC(C)c1cnn2ccc(-c3ccnc(Cc4ccc(N5CC(N(C)C)CC5=O)cn4)n3)cc12.
What is the InChIKey of 4-(dimethylamino)-1-[6-[[4-(3-propan-2-ylpyrazolo[1,5-a]pyridin-5-yl)pyrimidin-2-yl]methyl]-3-pyridinyl]pyrrolidin-2-one?
The InChIKey is FPWVPUAINMENKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H29N7O/c1-17(2)22-15-29-33-10-8-18(11-24(22)33)23-7-9-27-25(30-23)12-19-5-6-20(14-28-19)32-16-21(31(3)4)13-26(32)34/h5-11,14-15,17,21H,12-13,16H2,1-4H3.
What are the key properties of 4-(dimethylamino)-1-[6-[[4-(3-propan-2-ylpyrazolo[1,5-a]pyridin-5-yl)pyrimidin-2-yl]methyl]-3-pyridinyl]pyrrolidin-2-one?
4-(dimethylamino)-1-[6-[[4-(3-propan-2-ylpyrazolo[1,5-a]pyridin-5-yl)pyrimidin-2-yl]methyl]-3-pyridinyl]pyrrolidin-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-(dimethylamino)-1-[6-[[4-(3-propan-2-ylpyrazolo[1,5-a]pyridin-5-yl)pyrimidin-2-yl]methyl]-3-pyridinyl]pyrrolidin-2-one is sourced from PubChem (CID 167641489), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).