N,N'-dimethyl-N'-[[3-(7-morpholin-4-yl-3-propan-2-ylpyrazolo[1,5-a]pyrimidin-5-yl)phenyl]methyl]ethane-1,2-diamine

C24H34N6O — CID 118974799

IUPACN,N'-dimethyl-N'-[[3-(7-morpholin-4-yl-3-propan-2-ylpyrazolo[1,5-a]pyrimidin-5-yl)phenyl]methyl]ethane-1,2-diamine
SMILESCNCCN(C)Cc1cccc(-c2cc(N3CCOCC3)n3ncc(C(C)C)c3n2)c1
InChIInChI=1S/C24H34N6O/c1-18(2)21-16-26-30-23(29-10-12-31-13-11-29)15-22(27-24(21)30)20-7-5-6-19(14-20)17-28(4)9-8-25-3/h5-7,14-16,18,25H,8-13,17H2,1-4H3
InChIKeyVZYZWFSUJNVLOI-UHFFFAOYSA-N
MW422.58 g/mol
LogP3.01
Rot. Bonds8

About N,N'-dimethyl-N'-[[3-(7-morpholin-4-yl-3-propan-2-ylpyrazolo[1,5-a]pyrimidin-5-yl)phenyl]methyl]ethane-1,2-diamine

N,N'-dimethyl-N'-[[3-(7-morpholin-4-yl-3-propan-2-ylpyrazolo[1,5-a]pyrimidin-5-yl)phenyl]methyl]ethane-1,2-diamine (PubChem CID 118974799) has the molecular formula C24H34N6O and a molecular weight of 422.58 g/mol. Its IUPAC name is N,N'-dimethyl-N'-[[3-(7-morpholin-4-yl-3-propan-2-ylpyrazolo[1,5-a]pyrimidin-5-yl)phenyl]methyl]ethane-1,2-diamine.

Molecular Properties

Compound NameN,N'-dimethyl-N'-[[3-(7-morpholin-4-yl-3-propan-2-ylpyrazolo[1,5-a]pyrimidin-5-yl)phenyl]methyl]ethane-1,2-diamine
PubChem CID118974799
Molecular FormulaC24H34N6O
Molecular Weight422.58 g/mol
Exact Mass422.28
IUPAC NameN,N'-dimethyl-N'-[[3-(7-morpholin-4-yl-3-propan-2-ylpyrazolo[1,5-a]pyrimidin-5-yl)phenyl]methyl]ethane-1,2-diamine
SMILESCNCCN(C)Cc1cccc(-c2cc(N3CCOCC3)n3ncc(C(C)C)c3n2)c1
InChIInChI=1S/C24H34N6O/c1-18(2)21-16-26-30-23(29-10-12-31-13-11-29)15-22(27-24(21)30)20-7-5-6-19(14-20)17-28(4)9-8-25-3/h5-7,14-16,18,25H,8-13,17H2,1-4H3
InChIKeyVZYZWFSUJNVLOI-UHFFFAOYSA-N
XLogP3.01
TPSA57.93 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.58
LogP ≤ 53.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N,N'-dimethyl-N'-[[3-(7-morpholin-4-yl-3-propan-2-ylpyrazolo[1,5-a]pyrimidin-5-yl)phenyl]methyl]ethane-1,2-diamine?
The IUPAC name of N,N'-dimethyl-N'-[[3-(7-morpholin-4-yl-3-propan-2-ylpyrazolo[1,5-a]pyrimidin-5-yl)phenyl]methyl]ethane-1,2-diamine (CID 118974799) is N,N'-dimethyl-N'-[[3-(7-morpholin-4-yl-3-propan-2-ylpyrazolo[1,5-a]pyrimidin-5-yl)phenyl]methyl]ethane-1,2-diamine.
What is the SMILES notation for N,N'-dimethyl-N'-[[3-(7-morpholin-4-yl-3-propan-2-ylpyrazolo[1,5-a]pyrimidin-5-yl)phenyl]methyl]ethane-1,2-diamine?
The canonical SMILES for N,N'-dimethyl-N'-[[3-(7-morpholin-4-yl-3-propan-2-ylpyrazolo[1,5-a]pyrimidin-5-yl)phenyl]methyl]ethane-1,2-diamine is CNCCN(C)Cc1cccc(-c2cc(N3CCOCC3)n3ncc(C(C)C)c3n2)c1.
What is the InChIKey of N,N'-dimethyl-N'-[[3-(7-morpholin-4-yl-3-propan-2-ylpyrazolo[1,5-a]pyrimidin-5-yl)phenyl]methyl]ethane-1,2-diamine?
The InChIKey is VZYZWFSUJNVLOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H34N6O/c1-18(2)21-16-26-30-23(29-10-12-31-13-11-29)15-22(27-24(21)30)20-7-5-6-19(14-20)17-28(4)9-8-25-3/h5-7,14-16,18,25H,8-13,17H2,1-4H3.
What are the key properties of N,N'-dimethyl-N'-[[3-(7-morpholin-4-yl-3-propan-2-ylpyrazolo[1,5-a]pyrimidin-5-yl)phenyl]methyl]ethane-1,2-diamine?
N,N'-dimethyl-N'-[[3-(7-morpholin-4-yl-3-propan-2-ylpyrazolo[1,5-a]pyrimidin-5-yl)phenyl]methyl]ethane-1,2-diamine has a molecular weight of 422.58 g/mol, XLogP of 3.01, 8 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N,N'-dimethyl-N'-[[3-(7-morpholin-4-yl-3-propan-2-ylpyrazolo[1,5-a]pyrimidin-5-yl)phenyl]methyl]ethane-1,2-diamine is sourced from PubChem (CID 118974799), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).