1-[(2R)-butan-2-yl]-5-(2-ethoxy-3-pyridinyl)-N-[(5-methoxy-3-pyridinyl)methyl]-3-methylpyrazolo[4,5-b]pyridin-7-amine

C25H30N6O2 — CID 140830731

IUPAC1-[(2R)-butan-2-yl]-5-(2-ethoxy-3-pyridinyl)-N-[(5-methoxy-3-pyridinyl)methyl]-3-methylpyrazolo[4,5-b]pyridin-7-amine
SMILESCCOc1ncccc1-c1cc(NCc2cncc(OC)c2)c2c(n1)c(C)nn2[C@H](C)CC
InChIInChI=1S/C25H30N6O2/c1-6-16(3)31-24-22(28-14-18-11-19(32-5)15-26-13-18)12-21(29-23(24)17(4)30-31)20-9-8-10-27-25(20)33-7-2/h8-13,15-16H,6-7,14H2,1-5H3,(H,28,29)/t16-/m1/s1
InChIKeySYWOKLNWWYOPHL-MRXNPFEDSA-N
MW446.56 g/mol
LogP5.19
Rot. Bonds9

About 1-[(2R)-butan-2-yl]-5-(2-ethoxy-3-pyridinyl)-N-[(5-methoxy-3-pyridinyl)methyl]-3-methylpyrazolo[4,5-b]pyridin-7-amine

1-[(2R)-butan-2-yl]-5-(2-ethoxy-3-pyridinyl)-N-[(5-methoxy-3-pyridinyl)methyl]-3-methylpyrazolo[4,5-b]pyridin-7-amine (PubChem CID 140830731) has the molecular formula C25H30N6O2 and a molecular weight of 446.56 g/mol. Its IUPAC name is 1-[(2R)-butan-2-yl]-5-(2-ethoxy-3-pyridinyl)-N-[(5-methoxy-3-pyridinyl)methyl]-3-methylpyrazolo[4,5-b]pyridin-7-amine.

Molecular Properties

Compound Name1-[(2R)-butan-2-yl]-5-(2-ethoxy-3-pyridinyl)-N-[(5-methoxy-3-pyridinyl)methyl]-3-methylpyrazolo[4,5-b]pyridin-7-amine
PubChem CID140830731
Molecular FormulaC25H30N6O2
Molecular Weight446.56 g/mol
Exact Mass446.24
IUPAC Name1-[(2R)-butan-2-yl]-5-(2-ethoxy-3-pyridinyl)-N-[(5-methoxy-3-pyridinyl)methyl]-3-methylpyrazolo[4,5-b]pyridin-7-amine
SMILESCCOc1ncccc1-c1cc(NCc2cncc(OC)c2)c2c(n1)c(C)nn2[C@H](C)CC
InChIInChI=1S/C25H30N6O2/c1-6-16(3)31-24-22(28-14-18-11-19(32-5)15-26-13-18)12-21(29-23(24)17(4)30-31)20-9-8-10-27-25(20)33-7-2/h8-13,15-16H,6-7,14H2,1-5H3,(H,28,29)/t16-/m1/s1
InChIKeySYWOKLNWWYOPHL-MRXNPFEDSA-N
XLogP5.19
TPSA86.98 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds9
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500446.56
LogP ≤ 55.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 1-[(2R)-butan-2-yl]-5-(2-ethoxy-3-pyridinyl)-N-[(5-methoxy-3-pyridinyl)methyl]-3-methylpyrazolo[4,5-b]pyridin-7-amine?
The IUPAC name of 1-[(2R)-butan-2-yl]-5-(2-ethoxy-3-pyridinyl)-N-[(5-methoxy-3-pyridinyl)methyl]-3-methylpyrazolo[4,5-b]pyridin-7-amine (CID 140830731) is 1-[(2R)-butan-2-yl]-5-(2-ethoxy-3-pyridinyl)-N-[(5-methoxy-3-pyridinyl)methyl]-3-methylpyrazolo[4,5-b]pyridin-7-amine.
What is the SMILES notation for 1-[(2R)-butan-2-yl]-5-(2-ethoxy-3-pyridinyl)-N-[(5-methoxy-3-pyridinyl)methyl]-3-methylpyrazolo[4,5-b]pyridin-7-amine?
The canonical SMILES for 1-[(2R)-butan-2-yl]-5-(2-ethoxy-3-pyridinyl)-N-[(5-methoxy-3-pyridinyl)methyl]-3-methylpyrazolo[4,5-b]pyridin-7-amine is CCOc1ncccc1-c1cc(NCc2cncc(OC)c2)c2c(n1)c(C)nn2[C@H](C)CC.
What is the InChIKey of 1-[(2R)-butan-2-yl]-5-(2-ethoxy-3-pyridinyl)-N-[(5-methoxy-3-pyridinyl)methyl]-3-methylpyrazolo[4,5-b]pyridin-7-amine?
The InChIKey is SYWOKLNWWYOPHL-MRXNPFEDSA-N. The full InChI is InChI=1S/C25H30N6O2/c1-6-16(3)31-24-22(28-14-18-11-19(32-5)15-26-13-18)12-21(29-23(24)17(4)30-31)20-9-8-10-27-25(20)33-7-2/h8-13,15-16H,6-7,14H2,1-5H3,(H,28,29)/t16-/m1/s1.
What are the key properties of 1-[(2R)-butan-2-yl]-5-(2-ethoxy-3-pyridinyl)-N-[(5-methoxy-3-pyridinyl)methyl]-3-methylpyrazolo[4,5-b]pyridin-7-amine?
1-[(2R)-butan-2-yl]-5-(2-ethoxy-3-pyridinyl)-N-[(5-methoxy-3-pyridinyl)methyl]-3-methylpyrazolo[4,5-b]pyridin-7-amine has a molecular weight of 446.56 g/mol, XLogP of 5.19, 9 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2R)-butan-2-yl]-5-(2-ethoxy-3-pyridinyl)-N-[(5-methoxy-3-pyridinyl)methyl]-3-methylpyrazolo[4,5-b]pyridin-7-amine is sourced from PubChem (CID 140830731), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).