9-methyl-3-[1-[(3-pyrimidin-5-yl-2-pyridinyl)oxymethyl]cyclopropyl]pyrido[2,3-b]indole

C25H21N5O — CID 90656271

IUPAC9-methyl-3-[1-[(3-pyrimidin-5-yl-2-pyridinyl)oxymethyl]cyclopropyl]pyrido[2,3-b]indole
SMILESCn1c2ccccc2c2cc(C3(COc4ncccc4-c4cncnc4)CC3)cnc21
InChIInChI=1S/C25H21N5O/c1-30-22-7-3-2-5-20(22)21-11-18(14-29-23(21)30)25(8-9-25)15-31-24-19(6-4-10-28-24)17-12-26-16-27-13-17/h2-7,10-14,16H,8-9,15H2,1H3
InChIKeyVBGROGMZFVASFY-UHFFFAOYSA-N
MW407.48 g/mol
LogP4.69
Rot. Bonds5

About 9-methyl-3-[1-[(3-pyrimidin-5-yl-2-pyridinyl)oxymethyl]cyclopropyl]pyrido[2,3-b]indole

9-methyl-3-[1-[(3-pyrimidin-5-yl-2-pyridinyl)oxymethyl]cyclopropyl]pyrido[2,3-b]indole (PubChem CID 90656271) has the molecular formula C25H21N5O and a molecular weight of 407.48 g/mol. Its IUPAC name is 9-methyl-3-[1-[(3-pyrimidin-5-yl-2-pyridinyl)oxymethyl]cyclopropyl]pyrido[2,3-b]indole.

Molecular Properties

Compound Name9-methyl-3-[1-[(3-pyrimidin-5-yl-2-pyridinyl)oxymethyl]cyclopropyl]pyrido[2,3-b]indole
PubChem CID90656271
Molecular FormulaC25H21N5O
Molecular Weight407.48 g/mol
Exact Mass407.17
IUPAC Name9-methyl-3-[1-[(3-pyrimidin-5-yl-2-pyridinyl)oxymethyl]cyclopropyl]pyrido[2,3-b]indole
SMILESCn1c2ccccc2c2cc(C3(COc4ncccc4-c4cncnc4)CC3)cnc21
InChIInChI=1S/C25H21N5O/c1-30-22-7-3-2-5-20(22)21-11-18(14-29-23(21)30)25(8-9-25)15-31-24-19(6-4-10-28-24)17-12-26-16-27-13-17/h2-7,10-14,16H,8-9,15H2,1H3
InChIKeyVBGROGMZFVASFY-UHFFFAOYSA-N
XLogP4.69
TPSA65.72 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.48
LogP ≤ 54.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 9-methyl-3-[1-[(3-pyrimidin-5-yl-2-pyridinyl)oxymethyl]cyclopropyl]pyrido[2,3-b]indole?
The IUPAC name of 9-methyl-3-[1-[(3-pyrimidin-5-yl-2-pyridinyl)oxymethyl]cyclopropyl]pyrido[2,3-b]indole (CID 90656271) is 9-methyl-3-[1-[(3-pyrimidin-5-yl-2-pyridinyl)oxymethyl]cyclopropyl]pyrido[2,3-b]indole.
What is the SMILES notation for 9-methyl-3-[1-[(3-pyrimidin-5-yl-2-pyridinyl)oxymethyl]cyclopropyl]pyrido[2,3-b]indole?
The canonical SMILES for 9-methyl-3-[1-[(3-pyrimidin-5-yl-2-pyridinyl)oxymethyl]cyclopropyl]pyrido[2,3-b]indole is Cn1c2ccccc2c2cc(C3(COc4ncccc4-c4cncnc4)CC3)cnc21.
What is the InChIKey of 9-methyl-3-[1-[(3-pyrimidin-5-yl-2-pyridinyl)oxymethyl]cyclopropyl]pyrido[2,3-b]indole?
The InChIKey is VBGROGMZFVASFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H21N5O/c1-30-22-7-3-2-5-20(22)21-11-18(14-29-23(21)30)25(8-9-25)15-31-24-19(6-4-10-28-24)17-12-26-16-27-13-17/h2-7,10-14,16H,8-9,15H2,1H3.
What are the key properties of 9-methyl-3-[1-[(3-pyrimidin-5-yl-2-pyridinyl)oxymethyl]cyclopropyl]pyrido[2,3-b]indole?
9-methyl-3-[1-[(3-pyrimidin-5-yl-2-pyridinyl)oxymethyl]cyclopropyl]pyrido[2,3-b]indole has a molecular weight of 407.48 g/mol, XLogP of 4.69, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 9-methyl-3-[1-[(3-pyrimidin-5-yl-2-pyridinyl)oxymethyl]cyclopropyl]pyrido[2,3-b]indole is sourced from PubChem (CID 90656271), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).