N-[[1-(2-methoxyethyl)piperidin-4-yl]methyl]-5-(5-propan-2-yloxy-3-pyridinyl)-1H-indazole-3-carboxamide

C25H33N5O3 — CID 146036038

IUPACN-[[1-(2-methoxyethyl)piperidin-4-yl]methyl]-5-(5-propan-2-yloxy-3-pyridinyl)-1H-indazole-3-carboxamide
SMILESCOCCN1CCC(CNC(=O)c2n[nH]c3ccc(-c4cncc(OC(C)C)c4)cc23)CC1
InChIInChI=1S/C25H33N5O3/c1-17(2)33-21-12-20(15-26-16-21)19-4-5-23-22(13-19)24(29-28-23)25(31)27-14-18-6-8-30(9-7-18)10-11-32-3/h4-5,12-13,15-18H,6-11,14H2,1-3H3,(H,27,31)(H,28,29)
InChIKeyPKDWPGOXVXMHCS-UHFFFAOYSA-N
MW451.57 g/mol
LogP3.50
Rot. Bonds9

About N-[[1-(2-methoxyethyl)piperidin-4-yl]methyl]-5-(5-propan-2-yloxy-3-pyridinyl)-1H-indazole-3-carboxamide

N-[[1-(2-methoxyethyl)piperidin-4-yl]methyl]-5-(5-propan-2-yloxy-3-pyridinyl)-1H-indazole-3-carboxamide (PubChem CID 146036038) has the molecular formula C25H33N5O3 and a molecular weight of 451.57 g/mol. Its IUPAC name is N-[[1-(2-methoxyethyl)piperidin-4-yl]methyl]-5-(5-propan-2-yloxy-3-pyridinyl)-1H-indazole-3-carboxamide.

Molecular Properties

Compound NameN-[[1-(2-methoxyethyl)piperidin-4-yl]methyl]-5-(5-propan-2-yloxy-3-pyridinyl)-1H-indazole-3-carboxamide
PubChem CID146036038
Molecular FormulaC25H33N5O3
Molecular Weight451.57 g/mol
Exact Mass451.26
IUPAC NameN-[[1-(2-methoxyethyl)piperidin-4-yl]methyl]-5-(5-propan-2-yloxy-3-pyridinyl)-1H-indazole-3-carboxamide
SMILESCOCCN1CCC(CNC(=O)c2n[nH]c3ccc(-c4cncc(OC(C)C)c4)cc23)CC1
InChIInChI=1S/C25H33N5O3/c1-17(2)33-21-12-20(15-26-16-21)19-4-5-23-22(13-19)24(29-28-23)25(31)27-14-18-6-8-30(9-7-18)10-11-32-3/h4-5,12-13,15-18H,6-11,14H2,1-3H3,(H,27,31)(H,28,29)
InChIKeyPKDWPGOXVXMHCS-UHFFFAOYSA-N
XLogP3.50
TPSA92.37 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500451.57
LogP ≤ 53.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[[1-(2-methoxyethyl)piperidin-4-yl]methyl]-5-(5-propan-2-yloxy-3-pyridinyl)-1H-indazole-3-carboxamide?
The IUPAC name of N-[[1-(2-methoxyethyl)piperidin-4-yl]methyl]-5-(5-propan-2-yloxy-3-pyridinyl)-1H-indazole-3-carboxamide (CID 146036038) is N-[[1-(2-methoxyethyl)piperidin-4-yl]methyl]-5-(5-propan-2-yloxy-3-pyridinyl)-1H-indazole-3-carboxamide.
What is the SMILES notation for N-[[1-(2-methoxyethyl)piperidin-4-yl]methyl]-5-(5-propan-2-yloxy-3-pyridinyl)-1H-indazole-3-carboxamide?
The canonical SMILES for N-[[1-(2-methoxyethyl)piperidin-4-yl]methyl]-5-(5-propan-2-yloxy-3-pyridinyl)-1H-indazole-3-carboxamide is COCCN1CCC(CNC(=O)c2n[nH]c3ccc(-c4cncc(OC(C)C)c4)cc23)CC1.
What is the InChIKey of N-[[1-(2-methoxyethyl)piperidin-4-yl]methyl]-5-(5-propan-2-yloxy-3-pyridinyl)-1H-indazole-3-carboxamide?
The InChIKey is PKDWPGOXVXMHCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H33N5O3/c1-17(2)33-21-12-20(15-26-16-21)19-4-5-23-22(13-19)24(29-28-23)25(31)27-14-18-6-8-30(9-7-18)10-11-32-3/h4-5,12-13,15-18H,6-11,14H2,1-3H3,(H,27,31)(H,28,29).
What are the key properties of N-[[1-(2-methoxyethyl)piperidin-4-yl]methyl]-5-(5-propan-2-yloxy-3-pyridinyl)-1H-indazole-3-carboxamide?
N-[[1-(2-methoxyethyl)piperidin-4-yl]methyl]-5-(5-propan-2-yloxy-3-pyridinyl)-1H-indazole-3-carboxamide has a molecular weight of 451.57 g/mol, XLogP of 3.50, 9 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(2-methoxyethyl)piperidin-4-yl]methyl]-5-(5-propan-2-yloxy-3-pyridinyl)-1H-indazole-3-carboxamide is sourced from PubChem (CID 146036038), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).