2-(2-hydroxypropan-2-yl)-N-[6-methyl-5-(7-morpholin-4-ylpyrazolo[1,5-a]pyrimidin-5-yl)-3-pyridinyl]pyridine-4-carboxamide

C25H27N7O3 — CID 90463430

IUPAC2-(2-hydroxypropan-2-yl)-N-[6-methyl-5-(7-morpholin-4-ylpyrazolo[1,5-a]pyrimidin-5-yl)-3-pyridinyl]pyridine-4-carboxamide
SMILESCc1ncc(NC(=O)c2ccnc(C(C)(C)O)c2)cc1-c1cc(N2CCOCC2)n2nccc2n1
InChIInChI=1S/C25H27N7O3/c1-16-19(20-14-23(31-8-10-35-11-9-31)32-22(30-20)5-7-28-32)13-18(15-27-16)29-24(33)17-4-6-26-21(12-17)25(2,3)34/h4-7,12-15,34H,8-11H2,1-3H3,(H,29,33)
InChIKeySEQHECDQXNIHKE-UHFFFAOYSA-N
MW473.54 g/mol
LogP2.81
Rot. Bonds5

About 2-(2-hydroxypropan-2-yl)-N-[6-methyl-5-(7-morpholin-4-ylpyrazolo[1,5-a]pyrimidin-5-yl)-3-pyridinyl]pyridine-4-carboxamide

2-(2-hydroxypropan-2-yl)-N-[6-methyl-5-(7-morpholin-4-ylpyrazolo[1,5-a]pyrimidin-5-yl)-3-pyridinyl]pyridine-4-carboxamide (PubChem CID 90463430) has the molecular formula C25H27N7O3 and a molecular weight of 473.54 g/mol. Its IUPAC name is 2-(2-hydroxypropan-2-yl)-N-[6-methyl-5-(7-morpholin-4-ylpyrazolo[1,5-a]pyrimidin-5-yl)-3-pyridinyl]pyridine-4-carboxamide.

Molecular Properties

Compound Name2-(2-hydroxypropan-2-yl)-N-[6-methyl-5-(7-morpholin-4-ylpyrazolo[1,5-a]pyrimidin-5-yl)-3-pyridinyl]pyridine-4-carboxamide
PubChem CID90463430
Molecular FormulaC25H27N7O3
Molecular Weight473.54 g/mol
Exact Mass473.22
IUPAC Name2-(2-hydroxypropan-2-yl)-N-[6-methyl-5-(7-morpholin-4-ylpyrazolo[1,5-a]pyrimidin-5-yl)-3-pyridinyl]pyridine-4-carboxamide
SMILESCc1ncc(NC(=O)c2ccnc(C(C)(C)O)c2)cc1-c1cc(N2CCOCC2)n2nccc2n1
InChIInChI=1S/C25H27N7O3/c1-16-19(20-14-23(31-8-10-35-11-9-31)32-22(30-20)5-7-28-32)13-18(15-27-16)29-24(33)17-4-6-26-21(12-17)25(2,3)34/h4-7,12-15,34H,8-11H2,1-3H3,(H,29,33)
InChIKeySEQHECDQXNIHKE-UHFFFAOYSA-N
XLogP2.81
TPSA117.77 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds5
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500473.54
LogP ≤ 52.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of 2-(2-hydroxypropan-2-yl)-N-[6-methyl-5-(7-morpholin-4-ylpyrazolo[1,5-a]pyrimidin-5-yl)-3-pyridinyl]pyridine-4-carboxamide?
The IUPAC name of 2-(2-hydroxypropan-2-yl)-N-[6-methyl-5-(7-morpholin-4-ylpyrazolo[1,5-a]pyrimidin-5-yl)-3-pyridinyl]pyridine-4-carboxamide (CID 90463430) is 2-(2-hydroxypropan-2-yl)-N-[6-methyl-5-(7-morpholin-4-ylpyrazolo[1,5-a]pyrimidin-5-yl)-3-pyridinyl]pyridine-4-carboxamide.
What is the SMILES notation for 2-(2-hydroxypropan-2-yl)-N-[6-methyl-5-(7-morpholin-4-ylpyrazolo[1,5-a]pyrimidin-5-yl)-3-pyridinyl]pyridine-4-carboxamide?
The canonical SMILES for 2-(2-hydroxypropan-2-yl)-N-[6-methyl-5-(7-morpholin-4-ylpyrazolo[1,5-a]pyrimidin-5-yl)-3-pyridinyl]pyridine-4-carboxamide is Cc1ncc(NC(=O)c2ccnc(C(C)(C)O)c2)cc1-c1cc(N2CCOCC2)n2nccc2n1.
What is the InChIKey of 2-(2-hydroxypropan-2-yl)-N-[6-methyl-5-(7-morpholin-4-ylpyrazolo[1,5-a]pyrimidin-5-yl)-3-pyridinyl]pyridine-4-carboxamide?
The InChIKey is SEQHECDQXNIHKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H27N7O3/c1-16-19(20-14-23(31-8-10-35-11-9-31)32-22(30-20)5-7-28-32)13-18(15-27-16)29-24(33)17-4-6-26-21(12-17)25(2,3)34/h4-7,12-15,34H,8-11H2,1-3H3,(H,29,33).
What are the key properties of 2-(2-hydroxypropan-2-yl)-N-[6-methyl-5-(7-morpholin-4-ylpyrazolo[1,5-a]pyrimidin-5-yl)-3-pyridinyl]pyridine-4-carboxamide?
2-(2-hydroxypropan-2-yl)-N-[6-methyl-5-(7-morpholin-4-ylpyrazolo[1,5-a]pyrimidin-5-yl)-3-pyridinyl]pyridine-4-carboxamide has a molecular weight of 473.54 g/mol, XLogP of 2.81, 5 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-hydroxypropan-2-yl)-N-[6-methyl-5-(7-morpholin-4-ylpyrazolo[1,5-a]pyrimidin-5-yl)-3-pyridinyl]pyridine-4-carboxamide is sourced from PubChem (CID 90463430), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).