N-[2-[[2-[(2S)-2-cyanopyrrolidin-1-yl]-2-oxoethyl]amino]-2-methylpropyl]-2,7-dimethylpyrazolo[1,5-a]pyrimidine-6-carboxamide;hydrochloride

C20H28ClN7O2 — CID 57392406

IUPACN-[2-[[2-[(2S)-2-cyanopyrrolidin-1-yl]-2-oxoethyl]amino]-2-methylpropyl]-2,7-dimethylpyrazolo[1,5-a]pyrimidine-6-carboxamide;hydrochloride
SMILESCc1cc2ncc(C(=O)NCC(C)(C)NCC(=O)N3CCC[C@H]3C#N)c(C)n2n1.Cl
InChIInChI=1S/C20H27N7O2.ClH/c1-13-8-17-22-10-16(14(2)27(17)25-13)19(29)23-12-20(3,4)24-11-18(28)26-7-5-6-15(26)9-21;/h8,10,15,24H,5-7,11-12H2,1-4H3,(H,23,29);1H/t15-;/m0./s1
InChIKeyPEABPLRDQOVVPY-RSAXXLAASA-N
MW433.94 g/mol
LogP1.38
Rot. Bonds6

About N-[2-[[2-[(2S)-2-cyanopyrrolidin-1-yl]-2-oxoethyl]amino]-2-methylpropyl]-2,7-dimethylpyrazolo[1,5-a]pyrimidine-6-carboxamide;hydrochloride

N-[2-[[2-[(2S)-2-cyanopyrrolidin-1-yl]-2-oxoethyl]amino]-2-methylpropyl]-2,7-dimethylpyrazolo[1,5-a]pyrimidine-6-carboxamide;hydrochloride (PubChem CID 57392406) has the molecular formula C20H28ClN7O2 and a molecular weight of 433.94 g/mol. Its IUPAC name is N-[2-[[2-[(2S)-2-cyanopyrrolidin-1-yl]-2-oxoethyl]amino]-2-methylpropyl]-2,7-dimethylpyrazolo[1,5-a]pyrimidine-6-carboxamide;hydrochloride.

Molecular Properties

Compound NameN-[2-[[2-[(2S)-2-cyanopyrrolidin-1-yl]-2-oxoethyl]amino]-2-methylpropyl]-2,7-dimethylpyrazolo[1,5-a]pyrimidine-6-carboxamide;hydrochloride
PubChem CID57392406
Molecular FormulaC20H28ClN7O2
Molecular Weight433.94 g/mol
Exact Mass433.20
IUPAC NameN-[2-[[2-[(2S)-2-cyanopyrrolidin-1-yl]-2-oxoethyl]amino]-2-methylpropyl]-2,7-dimethylpyrazolo[1,5-a]pyrimidine-6-carboxamide;hydrochloride
SMILESCc1cc2ncc(C(=O)NCC(C)(C)NCC(=O)N3CCC[C@H]3C#N)c(C)n2n1.Cl
InChIInChI=1S/C20H27N7O2.ClH/c1-13-8-17-22-10-16(14(2)27(17)25-13)19(29)23-12-20(3,4)24-11-18(28)26-7-5-6-15(26)9-21;/h8,10,15,24H,5-7,11-12H2,1-4H3,(H,23,29);1H/t15-;/m0./s1
InChIKeyPEABPLRDQOVVPY-RSAXXLAASA-N
XLogP1.38
TPSA115.42 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500433.94
LogP ≤ 51.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze N-[2-[[2-[(2S)-2-cyanopyrrolidin-1-yl]-2-oxoethyl]amino]-2-methylpropyl]-2,7-dimethylpyrazolo[1,5-a]pyrimidine-6-carboxamide;hydrochloride with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-[2-[[2-[(2S)-2-cyanopyrrolidin-1-yl]-2-oxoethyl]amino]-2-methylpropyl]-2,7-dimethylpyrazolo[1,5-a]pyrimidine-6-carboxamide;hydrochloride?
The IUPAC name of N-[2-[[2-[(2S)-2-cyanopyrrolidin-1-yl]-2-oxoethyl]amino]-2-methylpropyl]-2,7-dimethylpyrazolo[1,5-a]pyrimidine-6-carboxamide;hydrochloride (CID 57392406) is N-[2-[[2-[(2S)-2-cyanopyrrolidin-1-yl]-2-oxoethyl]amino]-2-methylpropyl]-2,7-dimethylpyrazolo[1,5-a]pyrimidine-6-carboxamide;hydrochloride.
What is the SMILES notation for N-[2-[[2-[(2S)-2-cyanopyrrolidin-1-yl]-2-oxoethyl]amino]-2-methylpropyl]-2,7-dimethylpyrazolo[1,5-a]pyrimidine-6-carboxamide;hydrochloride?
The canonical SMILES for N-[2-[[2-[(2S)-2-cyanopyrrolidin-1-yl]-2-oxoethyl]amino]-2-methylpropyl]-2,7-dimethylpyrazolo[1,5-a]pyrimidine-6-carboxamide;hydrochloride is Cc1cc2ncc(C(=O)NCC(C)(C)NCC(=O)N3CCC[C@H]3C#N)c(C)n2n1.Cl.
What is the InChIKey of N-[2-[[2-[(2S)-2-cyanopyrrolidin-1-yl]-2-oxoethyl]amino]-2-methylpropyl]-2,7-dimethylpyrazolo[1,5-a]pyrimidine-6-carboxamide;hydrochloride?
The InChIKey is PEABPLRDQOVVPY-RSAXXLAASA-N. The full InChI is InChI=1S/C20H27N7O2.ClH/c1-13-8-17-22-10-16(14(2)27(17)25-13)19(29)23-12-20(3,4)24-11-18(28)26-7-5-6-15(26)9-21;/h8,10,15,24H,5-7,11-12H2,1-4H3,(H,23,29);1H/t15-;/m0./s1.
What are the key properties of N-[2-[[2-[(2S)-2-cyanopyrrolidin-1-yl]-2-oxoethyl]amino]-2-methylpropyl]-2,7-dimethylpyrazolo[1,5-a]pyrimidine-6-carboxamide;hydrochloride?
N-[2-[[2-[(2S)-2-cyanopyrrolidin-1-yl]-2-oxoethyl]amino]-2-methylpropyl]-2,7-dimethylpyrazolo[1,5-a]pyrimidine-6-carboxamide;hydrochloride has a molecular weight of 433.94 g/mol, XLogP of 1.38, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[[2-[(2S)-2-cyanopyrrolidin-1-yl]-2-oxoethyl]amino]-2-methylpropyl]-2,7-dimethylpyrazolo[1,5-a]pyrimidine-6-carboxamide;hydrochloride is sourced from PubChem (CID 57392406), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).