N-(1-hydroxy-2-methylpropan-2-yl)-2-[3-(1-methylpiperidin-4-yl)indazol-1-yl]-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide

C24H29N7O2 — CID 71288434

IUPACN-(1-hydroxy-2-methylpropan-2-yl)-2-[3-(1-methylpiperidin-4-yl)indazol-1-yl]-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide
SMILESCN1CCC(c2nn(-c3cnc4[nH]cc(C(=O)NC(C)(C)CO)c4n3)c3ccccc23)CC1
InChIInChI=1S/C24H29N7O2/c1-24(2,14-32)28-23(33)17-12-25-22-21(17)27-19(13-26-22)31-18-7-5-4-6-16(18)20(29-31)15-8-10-30(3)11-9-15/h4-7,12-13,15,32H,8-11,14H2,1-3H3,(H,25,26)(H,28,33)
InChIKeyIEQUBFCUKWRWSN-UHFFFAOYSA-N
MW447.54 g/mol
LogP2.61
Rot. Bonds5

About N-(1-hydroxy-2-methylpropan-2-yl)-2-[3-(1-methylpiperidin-4-yl)indazol-1-yl]-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide

N-(1-hydroxy-2-methylpropan-2-yl)-2-[3-(1-methylpiperidin-4-yl)indazol-1-yl]-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide (PubChem CID 71288434) has the molecular formula C24H29N7O2 and a molecular weight of 447.54 g/mol. Its IUPAC name is N-(1-hydroxy-2-methylpropan-2-yl)-2-[3-(1-methylpiperidin-4-yl)indazol-1-yl]-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide.

Molecular Properties

Compound NameN-(1-hydroxy-2-methylpropan-2-yl)-2-[3-(1-methylpiperidin-4-yl)indazol-1-yl]-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide
PubChem CID71288434
Molecular FormulaC24H29N7O2
Molecular Weight447.54 g/mol
Exact Mass447.24
IUPAC NameN-(1-hydroxy-2-methylpropan-2-yl)-2-[3-(1-methylpiperidin-4-yl)indazol-1-yl]-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide
SMILESCN1CCC(c2nn(-c3cnc4[nH]cc(C(=O)NC(C)(C)CO)c4n3)c3ccccc23)CC1
InChIInChI=1S/C24H29N7O2/c1-24(2,14-32)28-23(33)17-12-25-22-21(17)27-19(13-26-22)31-18-7-5-4-6-16(18)20(29-31)15-8-10-30(3)11-9-15/h4-7,12-13,15,32H,8-11,14H2,1-3H3,(H,25,26)(H,28,33)
InChIKeyIEQUBFCUKWRWSN-UHFFFAOYSA-N
XLogP2.61
TPSA111.96 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500447.54
LogP ≤ 52.61
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-(1-hydroxy-2-methylpropan-2-yl)-2-[3-(1-methylpiperidin-4-yl)indazol-1-yl]-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide?
The IUPAC name of N-(1-hydroxy-2-methylpropan-2-yl)-2-[3-(1-methylpiperidin-4-yl)indazol-1-yl]-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide (CID 71288434) is N-(1-hydroxy-2-methylpropan-2-yl)-2-[3-(1-methylpiperidin-4-yl)indazol-1-yl]-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide.
What is the SMILES notation for N-(1-hydroxy-2-methylpropan-2-yl)-2-[3-(1-methylpiperidin-4-yl)indazol-1-yl]-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide?
The canonical SMILES for N-(1-hydroxy-2-methylpropan-2-yl)-2-[3-(1-methylpiperidin-4-yl)indazol-1-yl]-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide is CN1CCC(c2nn(-c3cnc4[nH]cc(C(=O)NC(C)(C)CO)c4n3)c3ccccc23)CC1.
What is the InChIKey of N-(1-hydroxy-2-methylpropan-2-yl)-2-[3-(1-methylpiperidin-4-yl)indazol-1-yl]-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide?
The InChIKey is IEQUBFCUKWRWSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H29N7O2/c1-24(2,14-32)28-23(33)17-12-25-22-21(17)27-19(13-26-22)31-18-7-5-4-6-16(18)20(29-31)15-8-10-30(3)11-9-15/h4-7,12-13,15,32H,8-11,14H2,1-3H3,(H,25,26)(H,28,33).
What are the key properties of N-(1-hydroxy-2-methylpropan-2-yl)-2-[3-(1-methylpiperidin-4-yl)indazol-1-yl]-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide?
N-(1-hydroxy-2-methylpropan-2-yl)-2-[3-(1-methylpiperidin-4-yl)indazol-1-yl]-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide has a molecular weight of 447.54 g/mol, XLogP of 2.61, 5 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-hydroxy-2-methylpropan-2-yl)-2-[3-(1-methylpiperidin-4-yl)indazol-1-yl]-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide is sourced from PubChem (CID 71288434), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).