2-amino-N-cyclopropyl-5-[7-cyclopropyl-2-[(1S)-1-cyclopropylethyl]-1-oxo-3H-isoindol-5-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide

C26H28N6O2 — CID 155384208

IUPAC2-amino-N-cyclopropyl-5-[7-cyclopropyl-2-[(1S)-1-cyclopropylethyl]-1-oxo-3H-isoindol-5-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESC[C@@H](C1CC1)N1Cc2cc(-c3ccn4nc(N)c(C(=O)NC5CC5)c4n3)cc(C3CC3)c2C1=O
InChIInChI=1S/C26H28N6O2/c1-13(14-2-3-14)31-12-17-10-16(11-19(15-4-5-15)21(17)26(31)34)20-8-9-32-24(29-20)22(23(27)30-32)25(33)28-18-6-7-18/h8-11,13-15,18H,2-7,12H2,1H3,(H2,27,30)(H,28,33)/t13-/m0/s1
InChIKeySMYKBETUHPQRLG-ZDUSSCGKSA-N
MW456.55 g/mol
LogP3.50
Rot. Bonds6

About 2-amino-N-cyclopropyl-5-[7-cyclopropyl-2-[(1S)-1-cyclopropylethyl]-1-oxo-3H-isoindol-5-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide

2-amino-N-cyclopropyl-5-[7-cyclopropyl-2-[(1S)-1-cyclopropylethyl]-1-oxo-3H-isoindol-5-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide (PubChem CID 155384208) has the molecular formula C26H28N6O2 and a molecular weight of 456.55 g/mol. Its IUPAC name is 2-amino-N-cyclopropyl-5-[7-cyclopropyl-2-[(1S)-1-cyclopropylethyl]-1-oxo-3H-isoindol-5-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide.

Molecular Properties

Compound Name2-amino-N-cyclopropyl-5-[7-cyclopropyl-2-[(1S)-1-cyclopropylethyl]-1-oxo-3H-isoindol-5-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
PubChem CID155384208
Molecular FormulaC26H28N6O2
Molecular Weight456.55 g/mol
Exact Mass456.23
IUPAC Name2-amino-N-cyclopropyl-5-[7-cyclopropyl-2-[(1S)-1-cyclopropylethyl]-1-oxo-3H-isoindol-5-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESC[C@@H](C1CC1)N1Cc2cc(-c3ccn4nc(N)c(C(=O)NC5CC5)c4n3)cc(C3CC3)c2C1=O
InChIInChI=1S/C26H28N6O2/c1-13(14-2-3-14)31-12-17-10-16(11-19(15-4-5-15)21(17)26(31)34)20-8-9-32-24(29-20)22(23(27)30-32)25(33)28-18-6-7-18/h8-11,13-15,18H,2-7,12H2,1H3,(H2,27,30)(H,28,33)/t13-/m0/s1
InChIKeySMYKBETUHPQRLG-ZDUSSCGKSA-N
XLogP3.50
TPSA105.62 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500456.55
LogP ≤ 53.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 2-amino-N-cyclopropyl-5-[7-cyclopropyl-2-[(1S)-1-cyclopropylethyl]-1-oxo-3H-isoindol-5-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-amino-N-cyclopropyl-5-[7-cyclopropyl-2-[(1S)-1-cyclopropylethyl]-1-oxo-3H-isoindol-5-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The IUPAC name of 2-amino-N-cyclopropyl-5-[7-cyclopropyl-2-[(1S)-1-cyclopropylethyl]-1-oxo-3H-isoindol-5-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide (CID 155384208) is 2-amino-N-cyclopropyl-5-[7-cyclopropyl-2-[(1S)-1-cyclopropylethyl]-1-oxo-3H-isoindol-5-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide.
What is the SMILES notation for 2-amino-N-cyclopropyl-5-[7-cyclopropyl-2-[(1S)-1-cyclopropylethyl]-1-oxo-3H-isoindol-5-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The canonical SMILES for 2-amino-N-cyclopropyl-5-[7-cyclopropyl-2-[(1S)-1-cyclopropylethyl]-1-oxo-3H-isoindol-5-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide is C[C@@H](C1CC1)N1Cc2cc(-c3ccn4nc(N)c(C(=O)NC5CC5)c4n3)cc(C3CC3)c2C1=O.
What is the InChIKey of 2-amino-N-cyclopropyl-5-[7-cyclopropyl-2-[(1S)-1-cyclopropylethyl]-1-oxo-3H-isoindol-5-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The InChIKey is SMYKBETUHPQRLG-ZDUSSCGKSA-N. The full InChI is InChI=1S/C26H28N6O2/c1-13(14-2-3-14)31-12-17-10-16(11-19(15-4-5-15)21(17)26(31)34)20-8-9-32-24(29-20)22(23(27)30-32)25(33)28-18-6-7-18/h8-11,13-15,18H,2-7,12H2,1H3,(H2,27,30)(H,28,33)/t13-/m0/s1.
What are the key properties of 2-amino-N-cyclopropyl-5-[7-cyclopropyl-2-[(1S)-1-cyclopropylethyl]-1-oxo-3H-isoindol-5-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide?
2-amino-N-cyclopropyl-5-[7-cyclopropyl-2-[(1S)-1-cyclopropylethyl]-1-oxo-3H-isoindol-5-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide has a molecular weight of 456.55 g/mol, XLogP of 3.50, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-cyclopropyl-5-[7-cyclopropyl-2-[(1S)-1-cyclopropylethyl]-1-oxo-3H-isoindol-5-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide is sourced from PubChem (CID 155384208), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).