N-[(1S,2R)-2-hydroxycyclobutyl]-5-(6-methoxy-1-propan-2-ylpyrrolo[2,3-b]pyridin-3-yl)-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide

C23H27N7O3 — CID 146559947

IUPACN-[(1S,2R)-2-hydroxycyclobutyl]-5-(6-methoxy-1-propan-2-ylpyrrolo[2,3-b]pyridin-3-yl)-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESCNc1cc(-c2cn(C(C)C)c3nc(OC)ccc23)nc2c(C(=O)N[C@H]3CC[C@H]3O)cnn12
InChIInChI=1S/C23H27N7O3/c1-12(2)29-11-15(13-5-8-20(33-4)28-21(13)29)17-9-19(24-3)30-22(26-17)14(10-25-30)23(32)27-16-6-7-18(16)31/h5,8-12,16,18,24,31H,6-7H2,1-4H3,(H,27,32)/t16-,18+/m0/s1
InChIKeyUUQULBVMCYUKMA-FUHWJXTLSA-N
MW449.52 g/mol
LogP2.63
Rot. Bonds6

About N-[(1S,2R)-2-hydroxycyclobutyl]-5-(6-methoxy-1-propan-2-ylpyrrolo[2,3-b]pyridin-3-yl)-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide

N-[(1S,2R)-2-hydroxycyclobutyl]-5-(6-methoxy-1-propan-2-ylpyrrolo[2,3-b]pyridin-3-yl)-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide (PubChem CID 146559947) has the molecular formula C23H27N7O3 and a molecular weight of 449.52 g/mol. Its IUPAC name is N-[(1S,2R)-2-hydroxycyclobutyl]-5-(6-methoxy-1-propan-2-ylpyrrolo[2,3-b]pyridin-3-yl)-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide.

Molecular Properties

Compound NameN-[(1S,2R)-2-hydroxycyclobutyl]-5-(6-methoxy-1-propan-2-ylpyrrolo[2,3-b]pyridin-3-yl)-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide
PubChem CID146559947
Molecular FormulaC23H27N7O3
Molecular Weight449.52 g/mol
Exact Mass449.22
IUPAC NameN-[(1S,2R)-2-hydroxycyclobutyl]-5-(6-methoxy-1-propan-2-ylpyrrolo[2,3-b]pyridin-3-yl)-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESCNc1cc(-c2cn(C(C)C)c3nc(OC)ccc23)nc2c(C(=O)N[C@H]3CC[C@H]3O)cnn12
InChIInChI=1S/C23H27N7O3/c1-12(2)29-11-15(13-5-8-20(33-4)28-21(13)29)17-9-19(24-3)30-22(26-17)14(10-25-30)23(32)27-16-6-7-18(16)31/h5,8-12,16,18,24,31H,6-7H2,1-4H3,(H,27,32)/t16-,18+/m0/s1
InChIKeyUUQULBVMCYUKMA-FUHWJXTLSA-N
XLogP2.63
TPSA118.60 Ų
H-Bond Donors3
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500449.52
LogP ≤ 52.63
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 109

Analyze N-[(1S,2R)-2-hydroxycyclobutyl]-5-(6-methoxy-1-propan-2-ylpyrrolo[2,3-b]pyridin-3-yl)-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-[(1S,2R)-2-hydroxycyclobutyl]-5-(6-methoxy-1-propan-2-ylpyrrolo[2,3-b]pyridin-3-yl)-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The IUPAC name of N-[(1S,2R)-2-hydroxycyclobutyl]-5-(6-methoxy-1-propan-2-ylpyrrolo[2,3-b]pyridin-3-yl)-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide (CID 146559947) is N-[(1S,2R)-2-hydroxycyclobutyl]-5-(6-methoxy-1-propan-2-ylpyrrolo[2,3-b]pyridin-3-yl)-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide.
What is the SMILES notation for N-[(1S,2R)-2-hydroxycyclobutyl]-5-(6-methoxy-1-propan-2-ylpyrrolo[2,3-b]pyridin-3-yl)-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The canonical SMILES for N-[(1S,2R)-2-hydroxycyclobutyl]-5-(6-methoxy-1-propan-2-ylpyrrolo[2,3-b]pyridin-3-yl)-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide is CNc1cc(-c2cn(C(C)C)c3nc(OC)ccc23)nc2c(C(=O)N[C@H]3CC[C@H]3O)cnn12.
What is the InChIKey of N-[(1S,2R)-2-hydroxycyclobutyl]-5-(6-methoxy-1-propan-2-ylpyrrolo[2,3-b]pyridin-3-yl)-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The InChIKey is UUQULBVMCYUKMA-FUHWJXTLSA-N. The full InChI is InChI=1S/C23H27N7O3/c1-12(2)29-11-15(13-5-8-20(33-4)28-21(13)29)17-9-19(24-3)30-22(26-17)14(10-25-30)23(32)27-16-6-7-18(16)31/h5,8-12,16,18,24,31H,6-7H2,1-4H3,(H,27,32)/t16-,18+/m0/s1.
What are the key properties of N-[(1S,2R)-2-hydroxycyclobutyl]-5-(6-methoxy-1-propan-2-ylpyrrolo[2,3-b]pyridin-3-yl)-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide?
N-[(1S,2R)-2-hydroxycyclobutyl]-5-(6-methoxy-1-propan-2-ylpyrrolo[2,3-b]pyridin-3-yl)-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide has a molecular weight of 449.52 g/mol, XLogP of 2.63, 6 rotatable bonds, 3 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S,2R)-2-hydroxycyclobutyl]-5-(6-methoxy-1-propan-2-ylpyrrolo[2,3-b]pyridin-3-yl)-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide is sourced from PubChem (CID 146559947), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).