N-(cyclopropylmethyl)-N-[5-[3-[(1-methylpyrazol-3-yl)carbamoyl]-5-propan-2-yloxyphenoxy]pyrazin-2-yl]pyrazine-2-carboxamide

C27H28N8O4 — CID 53240873

IUPACN-(cyclopropylmethyl)-N-[5-[3-[(1-methylpyrazol-3-yl)carbamoyl]-5-propan-2-yloxyphenoxy]pyrazin-2-yl]pyrazine-2-carboxamide
SMILESCC(C)Oc1cc(Oc2cnc(N(CC3CC3)C(=O)c3cnccn3)cn2)cc(C(=O)Nc2ccn(C)n2)c1
InChIInChI=1S/C27H28N8O4/c1-17(2)38-20-10-19(26(36)32-23-6-9-34(3)33-23)11-21(12-20)39-25-15-30-24(14-31-25)35(16-18-4-5-18)27(37)22-13-28-7-8-29-22/h6-15,17-18H,4-5,16H2,1-3H3,(H,32,33,36)
InChIKeyKUNVOBDBVVLLNZ-UHFFFAOYSA-N
MW528.57 g/mol
LogP3.89
Rot. Bonds10

About N-(cyclopropylmethyl)-N-[5-[3-[(1-methylpyrazol-3-yl)carbamoyl]-5-propan-2-yloxyphenoxy]pyrazin-2-yl]pyrazine-2-carboxamide

N-(cyclopropylmethyl)-N-[5-[3-[(1-methylpyrazol-3-yl)carbamoyl]-5-propan-2-yloxyphenoxy]pyrazin-2-yl]pyrazine-2-carboxamide (PubChem CID 53240873) has the molecular formula C27H28N8O4 and a molecular weight of 528.57 g/mol. Its IUPAC name is N-(cyclopropylmethyl)-N-[5-[3-[(1-methylpyrazol-3-yl)carbamoyl]-5-propan-2-yloxyphenoxy]pyrazin-2-yl]pyrazine-2-carboxamide.

Molecular Properties

Compound NameN-(cyclopropylmethyl)-N-[5-[3-[(1-methylpyrazol-3-yl)carbamoyl]-5-propan-2-yloxyphenoxy]pyrazin-2-yl]pyrazine-2-carboxamide
PubChem CID53240873
Molecular FormulaC27H28N8O4
Molecular Weight528.57 g/mol
Exact Mass528.22
IUPAC NameN-(cyclopropylmethyl)-N-[5-[3-[(1-methylpyrazol-3-yl)carbamoyl]-5-propan-2-yloxyphenoxy]pyrazin-2-yl]pyrazine-2-carboxamide
SMILESCC(C)Oc1cc(Oc2cnc(N(CC3CC3)C(=O)c3cnccn3)cn2)cc(C(=O)Nc2ccn(C)n2)c1
InChIInChI=1S/C27H28N8O4/c1-17(2)38-20-10-19(26(36)32-23-6-9-34(3)33-23)11-21(12-20)39-25-15-30-24(14-31-25)35(16-18-4-5-18)27(37)22-13-28-7-8-29-22/h6-15,17-18H,4-5,16H2,1-3H3,(H,32,33,36)
InChIKeyKUNVOBDBVVLLNZ-UHFFFAOYSA-N
XLogP3.89
TPSA137.25 Ų
H-Bond Donors1
H-Bond Acceptors10
Rotatable Bonds10
Heavy Atoms39
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500528.57
LogP ≤ 53.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1010

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Frequently Asked Questions

What is the IUPAC name of N-(cyclopropylmethyl)-N-[5-[3-[(1-methylpyrazol-3-yl)carbamoyl]-5-propan-2-yloxyphenoxy]pyrazin-2-yl]pyrazine-2-carboxamide?
The IUPAC name of N-(cyclopropylmethyl)-N-[5-[3-[(1-methylpyrazol-3-yl)carbamoyl]-5-propan-2-yloxyphenoxy]pyrazin-2-yl]pyrazine-2-carboxamide (CID 53240873) is N-(cyclopropylmethyl)-N-[5-[3-[(1-methylpyrazol-3-yl)carbamoyl]-5-propan-2-yloxyphenoxy]pyrazin-2-yl]pyrazine-2-carboxamide.
What is the SMILES notation for N-(cyclopropylmethyl)-N-[5-[3-[(1-methylpyrazol-3-yl)carbamoyl]-5-propan-2-yloxyphenoxy]pyrazin-2-yl]pyrazine-2-carboxamide?
The canonical SMILES for N-(cyclopropylmethyl)-N-[5-[3-[(1-methylpyrazol-3-yl)carbamoyl]-5-propan-2-yloxyphenoxy]pyrazin-2-yl]pyrazine-2-carboxamide is CC(C)Oc1cc(Oc2cnc(N(CC3CC3)C(=O)c3cnccn3)cn2)cc(C(=O)Nc2ccn(C)n2)c1.
What is the InChIKey of N-(cyclopropylmethyl)-N-[5-[3-[(1-methylpyrazol-3-yl)carbamoyl]-5-propan-2-yloxyphenoxy]pyrazin-2-yl]pyrazine-2-carboxamide?
The InChIKey is KUNVOBDBVVLLNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H28N8O4/c1-17(2)38-20-10-19(26(36)32-23-6-9-34(3)33-23)11-21(12-20)39-25-15-30-24(14-31-25)35(16-18-4-5-18)27(37)22-13-28-7-8-29-22/h6-15,17-18H,4-5,16H2,1-3H3,(H,32,33,36).
What are the key properties of N-(cyclopropylmethyl)-N-[5-[3-[(1-methylpyrazol-3-yl)carbamoyl]-5-propan-2-yloxyphenoxy]pyrazin-2-yl]pyrazine-2-carboxamide?
N-(cyclopropylmethyl)-N-[5-[3-[(1-methylpyrazol-3-yl)carbamoyl]-5-propan-2-yloxyphenoxy]pyrazin-2-yl]pyrazine-2-carboxamide has a molecular weight of 528.57 g/mol, XLogP of 3.89, 10 rotatable bonds, 1 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclopropylmethyl)-N-[5-[3-[(1-methylpyrazol-3-yl)carbamoyl]-5-propan-2-yloxyphenoxy]pyrazin-2-yl]pyrazine-2-carboxamide is sourced from PubChem (CID 53240873), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).