N-[(1R,2R)-2-methoxycyclobutyl]-7-(methylamino)-5-(7-propan-2-ylpyrrolo[2,3-c]pyridazin-5-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide

C22H26N8O2 — CID 146572572

IUPACN-[(1R,2R)-2-methoxycyclobutyl]-7-(methylamino)-5-(7-propan-2-ylpyrrolo[2,3-c]pyridazin-5-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESCNc1cc(-c2cn(C(C)C)c3nnccc23)nc2c(C(=O)N[C@@H]3CC[C@H]3OC)cnn12
InChIInChI=1S/C22H26N8O2/c1-12(2)29-11-15(13-7-8-24-28-21(13)29)17-9-19(23-3)30-20(26-17)14(10-25-30)22(31)27-16-5-6-18(16)32-4/h7-12,16,18,23H,5-6H2,1-4H3,(H,27,31)/t16-,18-/m1/s1
InChIKeyISNNFLRPNKQAKT-SJLPKXTDSA-N
MW434.50 g/mol
LogP2.67
Rot. Bonds6

About N-[(1R,2R)-2-methoxycyclobutyl]-7-(methylamino)-5-(7-propan-2-ylpyrrolo[2,3-c]pyridazin-5-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide

N-[(1R,2R)-2-methoxycyclobutyl]-7-(methylamino)-5-(7-propan-2-ylpyrrolo[2,3-c]pyridazin-5-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide (PubChem CID 146572572) has the molecular formula C22H26N8O2 and a molecular weight of 434.50 g/mol. Its IUPAC name is N-[(1R,2R)-2-methoxycyclobutyl]-7-(methylamino)-5-(7-propan-2-ylpyrrolo[2,3-c]pyridazin-5-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide.

Molecular Properties

Compound NameN-[(1R,2R)-2-methoxycyclobutyl]-7-(methylamino)-5-(7-propan-2-ylpyrrolo[2,3-c]pyridazin-5-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
PubChem CID146572572
Molecular FormulaC22H26N8O2
Molecular Weight434.50 g/mol
Exact Mass434.22
IUPAC NameN-[(1R,2R)-2-methoxycyclobutyl]-7-(methylamino)-5-(7-propan-2-ylpyrrolo[2,3-c]pyridazin-5-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESCNc1cc(-c2cn(C(C)C)c3nnccc23)nc2c(C(=O)N[C@@H]3CC[C@H]3OC)cnn12
InChIInChI=1S/C22H26N8O2/c1-12(2)29-11-15(13-7-8-24-28-21(13)29)17-9-19(23-3)30-20(26-17)14(10-25-30)22(31)27-16-5-6-18(16)32-4/h7-12,16,18,23H,5-6H2,1-4H3,(H,27,31)/t16-,18-/m1/s1
InChIKeyISNNFLRPNKQAKT-SJLPKXTDSA-N
XLogP2.67
TPSA111.26 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.50
LogP ≤ 52.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

Analyze N-[(1R,2R)-2-methoxycyclobutyl]-7-(methylamino)-5-(7-propan-2-ylpyrrolo[2,3-c]pyridazin-5-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-[(1R,2R)-2-methoxycyclobutyl]-7-(methylamino)-5-(7-propan-2-ylpyrrolo[2,3-c]pyridazin-5-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The IUPAC name of N-[(1R,2R)-2-methoxycyclobutyl]-7-(methylamino)-5-(7-propan-2-ylpyrrolo[2,3-c]pyridazin-5-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide (CID 146572572) is N-[(1R,2R)-2-methoxycyclobutyl]-7-(methylamino)-5-(7-propan-2-ylpyrrolo[2,3-c]pyridazin-5-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide.
What is the SMILES notation for N-[(1R,2R)-2-methoxycyclobutyl]-7-(methylamino)-5-(7-propan-2-ylpyrrolo[2,3-c]pyridazin-5-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The canonical SMILES for N-[(1R,2R)-2-methoxycyclobutyl]-7-(methylamino)-5-(7-propan-2-ylpyrrolo[2,3-c]pyridazin-5-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide is CNc1cc(-c2cn(C(C)C)c3nnccc23)nc2c(C(=O)N[C@@H]3CC[C@H]3OC)cnn12.
What is the InChIKey of N-[(1R,2R)-2-methoxycyclobutyl]-7-(methylamino)-5-(7-propan-2-ylpyrrolo[2,3-c]pyridazin-5-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The InChIKey is ISNNFLRPNKQAKT-SJLPKXTDSA-N. The full InChI is InChI=1S/C22H26N8O2/c1-12(2)29-11-15(13-7-8-24-28-21(13)29)17-9-19(23-3)30-20(26-17)14(10-25-30)22(31)27-16-5-6-18(16)32-4/h7-12,16,18,23H,5-6H2,1-4H3,(H,27,31)/t16-,18-/m1/s1.
What are the key properties of N-[(1R,2R)-2-methoxycyclobutyl]-7-(methylamino)-5-(7-propan-2-ylpyrrolo[2,3-c]pyridazin-5-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide?
N-[(1R,2R)-2-methoxycyclobutyl]-7-(methylamino)-5-(7-propan-2-ylpyrrolo[2,3-c]pyridazin-5-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide has a molecular weight of 434.50 g/mol, XLogP of 2.67, 6 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R,2R)-2-methoxycyclobutyl]-7-(methylamino)-5-(7-propan-2-ylpyrrolo[2,3-c]pyridazin-5-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide is sourced from PubChem (CID 146572572), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).