5-(3H-indol-5-yl)-N-(5-morpholin-4-yl-2-pyridinyl)pyrazolo[1,5-a]pyrimidin-7-amine

C23H21N7O — CID 158148505

IUPAC5-(3H-indol-5-yl)-N-(5-morpholin-4-yl-2-pyridinyl)pyrazolo[1,5-a]pyrimidin-7-amine
SMILESC1=Nc2ccc(-c3cc(Nc4ccc(N5CCOCC5)cn4)n4nccc4n3)cc2C1
InChIInChI=1S/C23H21N7O/c1-3-19-17(5-7-24-19)13-16(1)20-14-23(30-22(27-20)6-8-26-30)28-21-4-2-18(15-25-21)29-9-11-31-12-10-29/h1-4,6-8,13-15H,5,9-12H2,(H,25,28)
InChIKeyFUUQOHIGCZPLIT-UHFFFAOYSA-N
MW411.47 g/mol
LogP3.63
Rot. Bonds4

About 5-(3H-indol-5-yl)-N-(5-morpholin-4-yl-2-pyridinyl)pyrazolo[1,5-a]pyrimidin-7-amine

5-(3H-indol-5-yl)-N-(5-morpholin-4-yl-2-pyridinyl)pyrazolo[1,5-a]pyrimidin-7-amine (PubChem CID 158148505) has the molecular formula C23H21N7O and a molecular weight of 411.47 g/mol. Its IUPAC name is 5-(3H-indol-5-yl)-N-(5-morpholin-4-yl-2-pyridinyl)pyrazolo[1,5-a]pyrimidin-7-amine.

Molecular Properties

Compound Name5-(3H-indol-5-yl)-N-(5-morpholin-4-yl-2-pyridinyl)pyrazolo[1,5-a]pyrimidin-7-amine
PubChem CID158148505
Molecular FormulaC23H21N7O
Molecular Weight411.47 g/mol
Exact Mass411.18
IUPAC Name5-(3H-indol-5-yl)-N-(5-morpholin-4-yl-2-pyridinyl)pyrazolo[1,5-a]pyrimidin-7-amine
SMILESC1=Nc2ccc(-c3cc(Nc4ccc(N5CCOCC5)cn4)n4nccc4n3)cc2C1
InChIInChI=1S/C23H21N7O/c1-3-19-17(5-7-24-19)13-16(1)20-14-23(30-22(27-20)6-8-26-30)28-21-4-2-18(15-25-21)29-9-11-31-12-10-29/h1-4,6-8,13-15H,5,9-12H2,(H,25,28)
InChIKeyFUUQOHIGCZPLIT-UHFFFAOYSA-N
XLogP3.63
TPSA79.94 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.47
LogP ≤ 53.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 5-(3H-indol-5-yl)-N-(5-morpholin-4-yl-2-pyridinyl)pyrazolo[1,5-a]pyrimidin-7-amine?
The IUPAC name of 5-(3H-indol-5-yl)-N-(5-morpholin-4-yl-2-pyridinyl)pyrazolo[1,5-a]pyrimidin-7-amine (CID 158148505) is 5-(3H-indol-5-yl)-N-(5-morpholin-4-yl-2-pyridinyl)pyrazolo[1,5-a]pyrimidin-7-amine.
What is the SMILES notation for 5-(3H-indol-5-yl)-N-(5-morpholin-4-yl-2-pyridinyl)pyrazolo[1,5-a]pyrimidin-7-amine?
The canonical SMILES for 5-(3H-indol-5-yl)-N-(5-morpholin-4-yl-2-pyridinyl)pyrazolo[1,5-a]pyrimidin-7-amine is C1=Nc2ccc(-c3cc(Nc4ccc(N5CCOCC5)cn4)n4nccc4n3)cc2C1.
What is the InChIKey of 5-(3H-indol-5-yl)-N-(5-morpholin-4-yl-2-pyridinyl)pyrazolo[1,5-a]pyrimidin-7-amine?
The InChIKey is FUUQOHIGCZPLIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21N7O/c1-3-19-17(5-7-24-19)13-16(1)20-14-23(30-22(27-20)6-8-26-30)28-21-4-2-18(15-25-21)29-9-11-31-12-10-29/h1-4,6-8,13-15H,5,9-12H2,(H,25,28).
What are the key properties of 5-(3H-indol-5-yl)-N-(5-morpholin-4-yl-2-pyridinyl)pyrazolo[1,5-a]pyrimidin-7-amine?
5-(3H-indol-5-yl)-N-(5-morpholin-4-yl-2-pyridinyl)pyrazolo[1,5-a]pyrimidin-7-amine has a molecular weight of 411.47 g/mol, XLogP of 3.63, 4 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3H-indol-5-yl)-N-(5-morpholin-4-yl-2-pyridinyl)pyrazolo[1,5-a]pyrimidin-7-amine is sourced from PubChem (CID 158148505), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).