N-cyclopropyl-3-[1-(5-propan-2-ylpyrazolo[1,5-a]pyrimidin-7-yl)piperidin-4-yl]propanamide

C20H29N5O — CID 56909980

IUPACN-cyclopropyl-3-[1-(5-propan-2-ylpyrazolo[1,5-a]pyrimidin-7-yl)piperidin-4-yl]propanamide
SMILESCC(C)c1cc(N2CCC(CCC(=O)NC3CC3)CC2)n2nccc2n1
InChIInChI=1S/C20H29N5O/c1-14(2)17-13-20(25-18(23-17)7-10-21-25)24-11-8-15(9-12-24)3-6-19(26)22-16-4-5-16/h7,10,13-16H,3-6,8-9,11-12H2,1-2H3,(H,22,26)
InChIKeyGBRLSVIGHIOZKR-UHFFFAOYSA-N
MW355.49 g/mol
LogP3.13
Rot. Bonds6

About N-cyclopropyl-3-[1-(5-propan-2-ylpyrazolo[1,5-a]pyrimidin-7-yl)piperidin-4-yl]propanamide

N-cyclopropyl-3-[1-(5-propan-2-ylpyrazolo[1,5-a]pyrimidin-7-yl)piperidin-4-yl]propanamide (PubChem CID 56909980) has the molecular formula C20H29N5O and a molecular weight of 355.49 g/mol. Its IUPAC name is N-cyclopropyl-3-[1-(5-propan-2-ylpyrazolo[1,5-a]pyrimidin-7-yl)piperidin-4-yl]propanamide.

Molecular Properties

Compound NameN-cyclopropyl-3-[1-(5-propan-2-ylpyrazolo[1,5-a]pyrimidin-7-yl)piperidin-4-yl]propanamide
PubChem CID56909980
Molecular FormulaC20H29N5O
Molecular Weight355.49 g/mol
Exact Mass355.24
IUPAC NameN-cyclopropyl-3-[1-(5-propan-2-ylpyrazolo[1,5-a]pyrimidin-7-yl)piperidin-4-yl]propanamide
SMILESCC(C)c1cc(N2CCC(CCC(=O)NC3CC3)CC2)n2nccc2n1
InChIInChI=1S/C20H29N5O/c1-14(2)17-13-20(25-18(23-17)7-10-21-25)24-11-8-15(9-12-24)3-6-19(26)22-16-4-5-16/h7,10,13-16H,3-6,8-9,11-12H2,1-2H3,(H,22,26)
InChIKeyGBRLSVIGHIOZKR-UHFFFAOYSA-N
XLogP3.13
TPSA62.53 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.49
LogP ≤ 53.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-3-[1-(5-propan-2-ylpyrazolo[1,5-a]pyrimidin-7-yl)piperidin-4-yl]propanamide?
The IUPAC name of N-cyclopropyl-3-[1-(5-propan-2-ylpyrazolo[1,5-a]pyrimidin-7-yl)piperidin-4-yl]propanamide (CID 56909980) is N-cyclopropyl-3-[1-(5-propan-2-ylpyrazolo[1,5-a]pyrimidin-7-yl)piperidin-4-yl]propanamide.
What is the SMILES notation for N-cyclopropyl-3-[1-(5-propan-2-ylpyrazolo[1,5-a]pyrimidin-7-yl)piperidin-4-yl]propanamide?
The canonical SMILES for N-cyclopropyl-3-[1-(5-propan-2-ylpyrazolo[1,5-a]pyrimidin-7-yl)piperidin-4-yl]propanamide is CC(C)c1cc(N2CCC(CCC(=O)NC3CC3)CC2)n2nccc2n1.
What is the InChIKey of N-cyclopropyl-3-[1-(5-propan-2-ylpyrazolo[1,5-a]pyrimidin-7-yl)piperidin-4-yl]propanamide?
The InChIKey is GBRLSVIGHIOZKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H29N5O/c1-14(2)17-13-20(25-18(23-17)7-10-21-25)24-11-8-15(9-12-24)3-6-19(26)22-16-4-5-16/h7,10,13-16H,3-6,8-9,11-12H2,1-2H3,(H,22,26).
What are the key properties of N-cyclopropyl-3-[1-(5-propan-2-ylpyrazolo[1,5-a]pyrimidin-7-yl)piperidin-4-yl]propanamide?
N-cyclopropyl-3-[1-(5-propan-2-ylpyrazolo[1,5-a]pyrimidin-7-yl)piperidin-4-yl]propanamide has a molecular weight of 355.49 g/mol, XLogP of 3.13, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-3-[1-(5-propan-2-ylpyrazolo[1,5-a]pyrimidin-7-yl)piperidin-4-yl]propanamide is sourced from PubChem (CID 56909980), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).