N-cyclopropyl-4-[7-(cyclopropylmethylamino)-5-methylpyrazolo[1,5-a]pyrimidin-3-yl]-2-methylbenzamide

C22H25N5O — CID 90176188

IUPACN-cyclopropyl-4-[7-(cyclopropylmethylamino)-5-methylpyrazolo[1,5-a]pyrimidin-3-yl]-2-methylbenzamide
SMILESCc1cc(NCC2CC2)n2ncc(-c3ccc(C(=O)NC4CC4)c(C)c3)c2n1
InChIInChI=1S/C22H25N5O/c1-13-9-16(5-8-18(13)22(28)26-17-6-7-17)19-12-24-27-20(23-11-15-3-4-15)10-14(2)25-21(19)27/h5,8-10,12,15,17,23H,3-4,6-7,11H2,1-2H3,(H,26,28)
InChIKeyYXTOAYZCBCDVQU-UHFFFAOYSA-N
MW375.48 g/mol
LogP3.73
Rot. Bonds6

About N-cyclopropyl-4-[7-(cyclopropylmethylamino)-5-methylpyrazolo[1,5-a]pyrimidin-3-yl]-2-methylbenzamide

N-cyclopropyl-4-[7-(cyclopropylmethylamino)-5-methylpyrazolo[1,5-a]pyrimidin-3-yl]-2-methylbenzamide (PubChem CID 90176188) has the molecular formula C22H25N5O and a molecular weight of 375.48 g/mol. Its IUPAC name is N-cyclopropyl-4-[7-(cyclopropylmethylamino)-5-methylpyrazolo[1,5-a]pyrimidin-3-yl]-2-methylbenzamide.

Molecular Properties

Compound NameN-cyclopropyl-4-[7-(cyclopropylmethylamino)-5-methylpyrazolo[1,5-a]pyrimidin-3-yl]-2-methylbenzamide
PubChem CID90176188
Molecular FormulaC22H25N5O
Molecular Weight375.48 g/mol
Exact Mass375.21
IUPAC NameN-cyclopropyl-4-[7-(cyclopropylmethylamino)-5-methylpyrazolo[1,5-a]pyrimidin-3-yl]-2-methylbenzamide
SMILESCc1cc(NCC2CC2)n2ncc(-c3ccc(C(=O)NC4CC4)c(C)c3)c2n1
InChIInChI=1S/C22H25N5O/c1-13-9-16(5-8-18(13)22(28)26-17-6-7-17)19-12-24-27-20(23-11-15-3-4-15)10-14(2)25-21(19)27/h5,8-10,12,15,17,23H,3-4,6-7,11H2,1-2H3,(H,26,28)
InChIKeyYXTOAYZCBCDVQU-UHFFFAOYSA-N
XLogP3.73
TPSA71.32 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.48
LogP ≤ 53.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-4-[7-(cyclopropylmethylamino)-5-methylpyrazolo[1,5-a]pyrimidin-3-yl]-2-methylbenzamide?
The IUPAC name of N-cyclopropyl-4-[7-(cyclopropylmethylamino)-5-methylpyrazolo[1,5-a]pyrimidin-3-yl]-2-methylbenzamide (CID 90176188) is N-cyclopropyl-4-[7-(cyclopropylmethylamino)-5-methylpyrazolo[1,5-a]pyrimidin-3-yl]-2-methylbenzamide.
What is the SMILES notation for N-cyclopropyl-4-[7-(cyclopropylmethylamino)-5-methylpyrazolo[1,5-a]pyrimidin-3-yl]-2-methylbenzamide?
The canonical SMILES for N-cyclopropyl-4-[7-(cyclopropylmethylamino)-5-methylpyrazolo[1,5-a]pyrimidin-3-yl]-2-methylbenzamide is Cc1cc(NCC2CC2)n2ncc(-c3ccc(C(=O)NC4CC4)c(C)c3)c2n1.
What is the InChIKey of N-cyclopropyl-4-[7-(cyclopropylmethylamino)-5-methylpyrazolo[1,5-a]pyrimidin-3-yl]-2-methylbenzamide?
The InChIKey is YXTOAYZCBCDVQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25N5O/c1-13-9-16(5-8-18(13)22(28)26-17-6-7-17)19-12-24-27-20(23-11-15-3-4-15)10-14(2)25-21(19)27/h5,8-10,12,15,17,23H,3-4,6-7,11H2,1-2H3,(H,26,28).
What are the key properties of N-cyclopropyl-4-[7-(cyclopropylmethylamino)-5-methylpyrazolo[1,5-a]pyrimidin-3-yl]-2-methylbenzamide?
N-cyclopropyl-4-[7-(cyclopropylmethylamino)-5-methylpyrazolo[1,5-a]pyrimidin-3-yl]-2-methylbenzamide has a molecular weight of 375.48 g/mol, XLogP of 3.73, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-4-[7-(cyclopropylmethylamino)-5-methylpyrazolo[1,5-a]pyrimidin-3-yl]-2-methylbenzamide is sourced from PubChem (CID 90176188), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).