N-[1-[3-cyano-7-(oxetan-3-ylamino)pyrazolo[1,5-a]pyrimidin-5-yl]indol-6-yl]acetamide

C20H17N7O2 — CID 70690636

IUPACN-[1-[3-cyano-7-(oxetan-3-ylamino)pyrazolo[1,5-a]pyrimidin-5-yl]indol-6-yl]acetamide
SMILESCC(=O)Nc1ccc2ccn(-c3cc(NC4COC4)n4ncc(C#N)c4n3)c2c1
InChIInChI=1S/C20H17N7O2/c1-12(28)23-15-3-2-13-4-5-26(17(13)6-15)18-7-19(24-16-10-29-11-16)27-20(25-18)14(8-21)9-22-27/h2-7,9,16,24H,10-11H2,1H3,(H,23,28)
InChIKeyDGZDPMXIIKQRKT-UHFFFAOYSA-N
MW387.40 g/mol
LogP2.31
Rot. Bonds4

About N-[1-[3-cyano-7-(oxetan-3-ylamino)pyrazolo[1,5-a]pyrimidin-5-yl]indol-6-yl]acetamide

N-[1-[3-cyano-7-(oxetan-3-ylamino)pyrazolo[1,5-a]pyrimidin-5-yl]indol-6-yl]acetamide (PubChem CID 70690636) has the molecular formula C20H17N7O2 and a molecular weight of 387.40 g/mol. Its IUPAC name is N-[1-[3-cyano-7-(oxetan-3-ylamino)pyrazolo[1,5-a]pyrimidin-5-yl]indol-6-yl]acetamide.

Molecular Properties

Compound NameN-[1-[3-cyano-7-(oxetan-3-ylamino)pyrazolo[1,5-a]pyrimidin-5-yl]indol-6-yl]acetamide
PubChem CID70690636
Molecular FormulaC20H17N7O2
Molecular Weight387.40 g/mol
Exact Mass387.14
IUPAC NameN-[1-[3-cyano-7-(oxetan-3-ylamino)pyrazolo[1,5-a]pyrimidin-5-yl]indol-6-yl]acetamide
SMILESCC(=O)Nc1ccc2ccn(-c3cc(NC4COC4)n4ncc(C#N)c4n3)c2c1
InChIInChI=1S/C20H17N7O2/c1-12(28)23-15-3-2-13-4-5-26(17(13)6-15)18-7-19(24-16-10-29-11-16)27-20(25-18)14(8-21)9-22-27/h2-7,9,16,24H,10-11H2,1H3,(H,23,28)
InChIKeyDGZDPMXIIKQRKT-UHFFFAOYSA-N
XLogP2.31
TPSA109.27 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.40
LogP ≤ 52.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of N-[1-[3-cyano-7-(oxetan-3-ylamino)pyrazolo[1,5-a]pyrimidin-5-yl]indol-6-yl]acetamide?
The IUPAC name of N-[1-[3-cyano-7-(oxetan-3-ylamino)pyrazolo[1,5-a]pyrimidin-5-yl]indol-6-yl]acetamide (CID 70690636) is N-[1-[3-cyano-7-(oxetan-3-ylamino)pyrazolo[1,5-a]pyrimidin-5-yl]indol-6-yl]acetamide.
What is the SMILES notation for N-[1-[3-cyano-7-(oxetan-3-ylamino)pyrazolo[1,5-a]pyrimidin-5-yl]indol-6-yl]acetamide?
The canonical SMILES for N-[1-[3-cyano-7-(oxetan-3-ylamino)pyrazolo[1,5-a]pyrimidin-5-yl]indol-6-yl]acetamide is CC(=O)Nc1ccc2ccn(-c3cc(NC4COC4)n4ncc(C#N)c4n3)c2c1.
What is the InChIKey of N-[1-[3-cyano-7-(oxetan-3-ylamino)pyrazolo[1,5-a]pyrimidin-5-yl]indol-6-yl]acetamide?
The InChIKey is DGZDPMXIIKQRKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17N7O2/c1-12(28)23-15-3-2-13-4-5-26(17(13)6-15)18-7-19(24-16-10-29-11-16)27-20(25-18)14(8-21)9-22-27/h2-7,9,16,24H,10-11H2,1H3,(H,23,28).
What are the key properties of N-[1-[3-cyano-7-(oxetan-3-ylamino)pyrazolo[1,5-a]pyrimidin-5-yl]indol-6-yl]acetamide?
N-[1-[3-cyano-7-(oxetan-3-ylamino)pyrazolo[1,5-a]pyrimidin-5-yl]indol-6-yl]acetamide has a molecular weight of 387.40 g/mol, XLogP of 2.31, 4 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[3-cyano-7-(oxetan-3-ylamino)pyrazolo[1,5-a]pyrimidin-5-yl]indol-6-yl]acetamide is sourced from PubChem (CID 70690636), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).