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

C28H32N6O — CID 167639495

IUPAC[3-(dimethylamino)pyrrolidin-1-yl]-[4-[[4-(3-propan-2-ylpyrazolo[1,5-a]pyridin-5-yl)pyrimidin-2-yl]methyl]phenyl]methanone
SMILESCC(C)c1cnn2ccc(-c3ccnc(Cc4ccc(C(=O)N5CCC(N(C)C)C5)cc4)n3)cc12
InChIInChI=1S/C28H32N6O/c1-19(2)24-17-30-34-14-10-22(16-26(24)34)25-9-12-29-27(31-25)15-20-5-7-21(8-6-20)28(35)33-13-11-23(18-33)32(3)4/h5-10,12,14,16-17,19,23H,11,13,15,18H2,1-4H3
InChIKeyOYRBNIKZVBRXFI-UHFFFAOYSA-N
MW468.61 g/mol
LogP4.28
Rot. Bonds6

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

[3-(dimethylamino)pyrrolidin-1-yl]-[4-[[4-(3-propan-2-ylpyrazolo[1,5-a]pyridin-5-yl)pyrimidin-2-yl]methyl]phenyl]methanone (PubChem CID 167639495) has the molecular formula C28H32N6O and a molecular weight of 468.61 g/mol. Its IUPAC name is [3-(dimethylamino)pyrrolidin-1-yl]-[4-[[4-(3-propan-2-ylpyrazolo[1,5-a]pyridin-5-yl)pyrimidin-2-yl]methyl]phenyl]methanone.

Molecular Properties

Compound Name[3-(dimethylamino)pyrrolidin-1-yl]-[4-[[4-(3-propan-2-ylpyrazolo[1,5-a]pyridin-5-yl)pyrimidin-2-yl]methyl]phenyl]methanone
PubChem CID167639495
Molecular FormulaC28H32N6O
Molecular Weight468.61 g/mol
Exact Mass468.26
IUPAC Name[3-(dimethylamino)pyrrolidin-1-yl]-[4-[[4-(3-propan-2-ylpyrazolo[1,5-a]pyridin-5-yl)pyrimidin-2-yl]methyl]phenyl]methanone
SMILESCC(C)c1cnn2ccc(-c3ccnc(Cc4ccc(C(=O)N5CCC(N(C)C)C5)cc4)n3)cc12
InChIInChI=1S/C28H32N6O/c1-19(2)24-17-30-34-14-10-22(16-26(24)34)25-9-12-29-27(31-25)15-20-5-7-21(8-6-20)28(35)33-13-11-23(18-33)32(3)4/h5-10,12,14,16-17,19,23H,11,13,15,18H2,1-4H3
InChIKeyOYRBNIKZVBRXFI-UHFFFAOYSA-N
XLogP4.28
TPSA66.63 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500468.61
LogP ≤ 54.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of [3-(dimethylamino)pyrrolidin-1-yl]-[4-[[4-(3-propan-2-ylpyrazolo[1,5-a]pyridin-5-yl)pyrimidin-2-yl]methyl]phenyl]methanone?
The IUPAC name of [3-(dimethylamino)pyrrolidin-1-yl]-[4-[[4-(3-propan-2-ylpyrazolo[1,5-a]pyridin-5-yl)pyrimidin-2-yl]methyl]phenyl]methanone (CID 167639495) is [3-(dimethylamino)pyrrolidin-1-yl]-[4-[[4-(3-propan-2-ylpyrazolo[1,5-a]pyridin-5-yl)pyrimidin-2-yl]methyl]phenyl]methanone.
What is the SMILES notation for [3-(dimethylamino)pyrrolidin-1-yl]-[4-[[4-(3-propan-2-ylpyrazolo[1,5-a]pyridin-5-yl)pyrimidin-2-yl]methyl]phenyl]methanone?
The canonical SMILES for [3-(dimethylamino)pyrrolidin-1-yl]-[4-[[4-(3-propan-2-ylpyrazolo[1,5-a]pyridin-5-yl)pyrimidin-2-yl]methyl]phenyl]methanone is CC(C)c1cnn2ccc(-c3ccnc(Cc4ccc(C(=O)N5CCC(N(C)C)C5)cc4)n3)cc12.
What is the InChIKey of [3-(dimethylamino)pyrrolidin-1-yl]-[4-[[4-(3-propan-2-ylpyrazolo[1,5-a]pyridin-5-yl)pyrimidin-2-yl]methyl]phenyl]methanone?
The InChIKey is OYRBNIKZVBRXFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H32N6O/c1-19(2)24-17-30-34-14-10-22(16-26(24)34)25-9-12-29-27(31-25)15-20-5-7-21(8-6-20)28(35)33-13-11-23(18-33)32(3)4/h5-10,12,14,16-17,19,23H,11,13,15,18H2,1-4H3.
What are the key properties of [3-(dimethylamino)pyrrolidin-1-yl]-[4-[[4-(3-propan-2-ylpyrazolo[1,5-a]pyridin-5-yl)pyrimidin-2-yl]methyl]phenyl]methanone?
[3-(dimethylamino)pyrrolidin-1-yl]-[4-[[4-(3-propan-2-ylpyrazolo[1,5-a]pyridin-5-yl)pyrimidin-2-yl]methyl]phenyl]methanone has a molecular weight of 468.61 g/mol, XLogP of 4.28, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(dimethylamino)pyrrolidin-1-yl]-[4-[[4-(3-propan-2-ylpyrazolo[1,5-a]pyridin-5-yl)pyrimidin-2-yl]methyl]phenyl]methanone is sourced from PubChem (CID 167639495), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).