N-[6-[2-[(1-methylpyrazol-4-yl)amino]pyrimidin-4-yl]-1,2,3,4-tetrahydronaphthalen-1-yl]-3-propan-2-yloxyazetidine-1-carboxamide

C25H31N7O2 — CID 166633698

IUPACN-[6-[2-[(1-methylpyrazol-4-yl)amino]pyrimidin-4-yl]-1,2,3,4-tetrahydronaphthalen-1-yl]-3-propan-2-yloxyazetidine-1-carboxamide
SMILESCC(C)OC1CN(C(=O)NC2CCCc3cc(-c4ccnc(Nc5cnn(C)c5)n4)ccc32)C1
InChIInChI=1S/C25H31N7O2/c1-16(2)34-20-14-32(15-20)25(33)30-23-6-4-5-17-11-18(7-8-21(17)23)22-9-10-26-24(29-22)28-19-12-27-31(3)13-19/h7-13,16,20,23H,4-6,14-15H2,1-3H3,(H,30,33)(H,26,28,29)
InChIKeyGCWYTLKXLICABQ-UHFFFAOYSA-N
MW461.57 g/mol
LogP3.82
Rot. Bonds6

About N-[6-[2-[(1-methylpyrazol-4-yl)amino]pyrimidin-4-yl]-1,2,3,4-tetrahydronaphthalen-1-yl]-3-propan-2-yloxyazetidine-1-carboxamide

N-[6-[2-[(1-methylpyrazol-4-yl)amino]pyrimidin-4-yl]-1,2,3,4-tetrahydronaphthalen-1-yl]-3-propan-2-yloxyazetidine-1-carboxamide (PubChem CID 166633698) has the molecular formula C25H31N7O2 and a molecular weight of 461.57 g/mol. Its IUPAC name is N-[6-[2-[(1-methylpyrazol-4-yl)amino]pyrimidin-4-yl]-1,2,3,4-tetrahydronaphthalen-1-yl]-3-propan-2-yloxyazetidine-1-carboxamide.

Molecular Properties

Compound NameN-[6-[2-[(1-methylpyrazol-4-yl)amino]pyrimidin-4-yl]-1,2,3,4-tetrahydronaphthalen-1-yl]-3-propan-2-yloxyazetidine-1-carboxamide
PubChem CID166633698
Molecular FormulaC25H31N7O2
Molecular Weight461.57 g/mol
Exact Mass461.25
IUPAC NameN-[6-[2-[(1-methylpyrazol-4-yl)amino]pyrimidin-4-yl]-1,2,3,4-tetrahydronaphthalen-1-yl]-3-propan-2-yloxyazetidine-1-carboxamide
SMILESCC(C)OC1CN(C(=O)NC2CCCc3cc(-c4ccnc(Nc5cnn(C)c5)n4)ccc32)C1
InChIInChI=1S/C25H31N7O2/c1-16(2)34-20-14-32(15-20)25(33)30-23-6-4-5-17-11-18(7-8-21(17)23)22-9-10-26-24(29-22)28-19-12-27-31(3)13-19/h7-13,16,20,23H,4-6,14-15H2,1-3H3,(H,30,33)(H,26,28,29)
InChIKeyGCWYTLKXLICABQ-UHFFFAOYSA-N
XLogP3.82
TPSA97.20 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500461.57
LogP ≤ 53.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze N-[6-[2-[(1-methylpyrazol-4-yl)amino]pyrimidin-4-yl]-1,2,3,4-tetrahydronaphthalen-1-yl]-3-propan-2-yloxyazetidine-1-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-[6-[2-[(1-methylpyrazol-4-yl)amino]pyrimidin-4-yl]-1,2,3,4-tetrahydronaphthalen-1-yl]-3-propan-2-yloxyazetidine-1-carboxamide?
The IUPAC name of N-[6-[2-[(1-methylpyrazol-4-yl)amino]pyrimidin-4-yl]-1,2,3,4-tetrahydronaphthalen-1-yl]-3-propan-2-yloxyazetidine-1-carboxamide (CID 166633698) is N-[6-[2-[(1-methylpyrazol-4-yl)amino]pyrimidin-4-yl]-1,2,3,4-tetrahydronaphthalen-1-yl]-3-propan-2-yloxyazetidine-1-carboxamide.
What is the SMILES notation for N-[6-[2-[(1-methylpyrazol-4-yl)amino]pyrimidin-4-yl]-1,2,3,4-tetrahydronaphthalen-1-yl]-3-propan-2-yloxyazetidine-1-carboxamide?
The canonical SMILES for N-[6-[2-[(1-methylpyrazol-4-yl)amino]pyrimidin-4-yl]-1,2,3,4-tetrahydronaphthalen-1-yl]-3-propan-2-yloxyazetidine-1-carboxamide is CC(C)OC1CN(C(=O)NC2CCCc3cc(-c4ccnc(Nc5cnn(C)c5)n4)ccc32)C1.
What is the InChIKey of N-[6-[2-[(1-methylpyrazol-4-yl)amino]pyrimidin-4-yl]-1,2,3,4-tetrahydronaphthalen-1-yl]-3-propan-2-yloxyazetidine-1-carboxamide?
The InChIKey is GCWYTLKXLICABQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H31N7O2/c1-16(2)34-20-14-32(15-20)25(33)30-23-6-4-5-17-11-18(7-8-21(17)23)22-9-10-26-24(29-22)28-19-12-27-31(3)13-19/h7-13,16,20,23H,4-6,14-15H2,1-3H3,(H,30,33)(H,26,28,29).
What are the key properties of N-[6-[2-[(1-methylpyrazol-4-yl)amino]pyrimidin-4-yl]-1,2,3,4-tetrahydronaphthalen-1-yl]-3-propan-2-yloxyazetidine-1-carboxamide?
N-[6-[2-[(1-methylpyrazol-4-yl)amino]pyrimidin-4-yl]-1,2,3,4-tetrahydronaphthalen-1-yl]-3-propan-2-yloxyazetidine-1-carboxamide has a molecular weight of 461.57 g/mol, XLogP of 3.82, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-[2-[(1-methylpyrazol-4-yl)amino]pyrimidin-4-yl]-1,2,3,4-tetrahydronaphthalen-1-yl]-3-propan-2-yloxyazetidine-1-carboxamide is sourced from PubChem (CID 166633698), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).